REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3kjd_1_B DATA FIRST_RESID 223 DATA SEQUENCE DLGTENLYFQ SMDLRVQELI KLICNVQAME EMMMEMKYNT KKAPLGKLTV DATA SEQUENCE AQIKAGYQSL KKIEDCIRAG QHGRALMEAC NEFYTRIPHD FGLRTPPLIR DATA SEQUENCE TQKELSEKIQ LLEALGDIEI AIKLVKTELQ SPEHPLDQHY RNLHCALRPL DATA SEQUENCE DHESYEFKVI SQYLQSTHAP THSDYTMTLL DLFEVEKDGE KEAFREDLHN DATA SEQUENCE RMLLWHGSRM SNWVGILSHG LRIAHPEAPI TGYMFGKGIY FADMSSKSAN DATA SEQUENCE YCFASRLKNT GLLLLSEVAL GQCNELLEAN PKAEGLLQGK HSTKGLGKMA DATA SEQUENCE PSSAHFVTLN GSTVPLGPAS DTGIXXXXXY TLNYNEYIVY NPNQVRMRYL DATA SEQUENCE LKVQFNF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 223 D HA 0.000 nan 4.640 nan 0.000 0.175 223 D C 0.000 176.334 176.300 0.056 0.000 2.045 223 D CA 0.000 54.024 54.000 0.040 0.000 0.868 223 D CB 0.000 40.817 40.800 0.029 0.000 0.688 224 L N 1.943 123.193 121.223 0.045 0.000 2.079 224 L HA 0.042 4.382 4.340 -0.000 0.000 0.210 224 L C 2.484 179.390 176.870 0.059 0.000 1.081 224 L CA 2.137 57.008 54.840 0.051 0.000 0.752 224 L CB -0.571 41.506 42.059 0.031 0.000 0.896 224 L HN 0.294 nan 8.230 nan 0.000 0.433 225 G N -0.558 108.269 108.800 0.044 0.000 2.446 225 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.217 225 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.217 225 G C 1.574 176.515 174.900 0.068 0.000 1.168 225 G CA 1.487 46.611 45.100 0.039 0.000 0.771 225 G HN 0.380 nan 8.290 nan 0.000 0.551 226 T N 1.210 115.819 114.554 0.093 0.000 2.674 226 T HA -0.068 4.282 4.350 -0.000 0.000 0.265 226 T C 2.176 177.027 174.700 0.253 0.000 1.039 226 T CA 1.373 63.570 62.100 0.161 0.000 1.150 226 T CB -0.205 68.757 68.868 0.158 0.000 0.864 226 T HN 0.199 nan 8.240 nan 0.000 0.427 227 E N 1.325 121.657 120.200 0.221 0.000 2.130 227 E HA -0.135 4.215 4.350 -0.000 0.000 0.196 227 E C 2.104 178.938 176.600 0.391 0.000 0.998 227 E CA 1.004 57.601 56.400 0.329 0.000 0.806 227 E CB -0.571 29.283 29.700 0.257 0.000 0.738 227 E HN 0.437 nan 8.360 nan 0.000 0.459 228 N N 0.337 119.170 118.700 0.222 0.000 2.188 228 N HA -0.055 4.685 4.740 -0.000 0.000 0.184 228 N C 1.847 177.427 175.510 0.116 0.000 1.018 228 N CA 0.529 53.676 53.050 0.162 0.000 0.858 228 N CB -0.088 38.442 38.487 0.070 0.000 0.989 228 N HN 0.079 nan 8.380 nan 0.000 0.426 229 L N -0.933 120.328 121.223 0.062 0.000 2.093 229 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 229 L C 1.553 178.320 176.870 -0.173 0.000 1.085 229 L CA 0.969 55.764 54.840 -0.075 0.000 0.755 229 L CB -0.390 41.570 42.059 -0.164 0.000 0.904 229 L HN 0.287 nan 8.230 nan 0.000 0.435 230 Y N -1.135 119.098 120.300 -0.112 0.000 2.184 230 Y HA -0.154 4.396 4.550 -0.000 0.000 0.290 230 Y C 2.163 177.828 175.900 -0.392 0.000 1.129 230 Y CA 1.521 59.434 58.100 -0.313 0.000 1.144 230 Y CB -0.345 37.804 38.460 -0.519 0.000 0.995 230 Y HN -0.013 nan 8.280 nan 0.000 0.513 231 F N -0.142 119.899 119.950 0.152 0.000 2.604 231 F HA -0.066 4.460 4.527 -0.000 0.000 0.298 231 F C 0.988 176.808 175.800 0.034 0.000 1.131 231 F CA 0.725 58.774 58.000 0.082 0.000 1.457 231 F CB -0.791 38.252 39.000 0.071 0.000 1.095 231 F HN 0.040 nan 8.300 nan 0.000 0.574 232 Q N 0.046 119.905 119.800 0.099 0.000 2.437 232 Q HA -0.213 4.127 4.340 -0.000 0.000 0.274 232 Q C 0.286 176.319 176.000 0.054 0.000 1.165 232 Q CA 0.354 56.182 55.803 0.040 0.000 0.925 232 Q CB -2.037 26.704 28.738 0.004 0.000 1.327 232 Q HN 0.288 nan 8.270 nan 0.000 0.505 233 S N 0.446 116.196 115.700 0.084 0.000 2.559 233 S HA 0.085 4.555 4.470 -0.000 0.000 0.282 233 S C 0.597 175.178 174.600 -0.032 0.000 1.336 233 S CA -0.239 57.972 58.200 0.019 0.000 1.037 233 S CB 0.452 63.649 63.200 -0.006 0.000 0.853 233 S HN 0.448 nan 8.310 nan 0.000 0.523 234 M N 2.841 122.394 119.600 -0.079 0.000 2.175 234 M HA -0.156 4.324 4.480 -0.000 0.000 0.355 234 M C 0.345 176.585 176.300 -0.100 0.000 1.102 234 M CA 0.558 55.783 55.300 -0.124 0.000 0.886 234 M CB 0.178 32.654 32.600 -0.208 0.000 1.730 234 M HN 0.631 nan 8.290 nan 0.000 0.475 235 D N 3.779 124.128 120.400 -0.085 0.000 2.571 235 D HA -0.075 4.565 4.640 -0.000 0.000 0.231 235 D C 0.936 177.213 176.300 -0.037 0.000 1.133 235 D CA 0.275 54.249 54.000 -0.043 0.000 0.862 235 D CB 0.596 41.388 40.800 -0.015 0.000 1.179 235 D HN 0.759 nan 8.370 nan 0.000 0.474 236 L N 3.904 125.116 121.223 -0.018 0.000 2.079 236 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 236 L C 2.679 179.565 176.870 0.027 0.000 1.081 236 L CA 1.298 56.133 54.840 -0.009 0.000 0.752 236 L CB -0.174 41.885 42.059 -0.001 0.000 0.896 236 L HN 0.421 nan 8.230 nan 0.000 0.433 237 R N -1.049 119.493 120.500 0.070 0.000 2.075 237 R HA -0.104 4.236 4.340 -0.000 0.000 0.232 237 R C 2.195 178.647 176.300 0.253 0.000 1.126 237 R CA 1.107 57.314 56.100 0.179 0.000 0.963 237 R CB -0.488 29.914 30.300 0.170 0.000 0.858 237 R HN 0.143 nan 8.270 nan 0.000 0.435 238 V N 1.396 121.414 119.914 0.173 0.000 2.295 238 V HA -0.279 3.840 4.120 -0.000 0.000 0.246 238 V C 2.250 178.286 176.094 -0.096 0.000 1.049 238 V CA 1.791 64.082 62.300 -0.016 0.000 1.024 238 V CB -0.605 31.132 31.823 -0.143 0.000 0.648 238 V HN 0.363 nan 8.190 nan 0.000 0.447 239 Q N -0.407 119.343 119.800 -0.083 0.000 2.077 239 Q HA -0.255 4.085 4.340 -0.000 0.000 0.206 239 Q C 2.375 178.360 176.000 -0.025 0.000 0.989 239 Q CA 1.785 57.539 55.803 -0.081 0.000 0.853 239 Q CB -0.262 28.417 28.738 -0.098 0.000 0.907 239 Q HN 0.603 nan 8.270 nan 0.000 0.418 240 E N 0.602 120.807 120.200 0.009 0.000 2.110 240 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 240 E C 2.027 178.641 176.600 0.023 0.000 0.988 240 E CA 0.640 57.061 56.400 0.035 0.000 0.804 240 E CB -0.250 29.490 29.700 0.066 0.000 0.745 240 E HN 0.225 nan 8.360 nan 0.000 0.458 241 L N 0.975 122.185 121.223 -0.021 0.000 2.017 241 L HA -0.144 4.195 4.340 -0.000 0.000 0.208 241 L C 2.111 178.941 176.870 -0.066 0.000 1.073 241 L CA 1.372 56.142 54.840 -0.116 0.000 0.745 241 L CB -0.402 41.396 42.059 -0.433 0.000 0.894 241 L HN 0.021 nan 8.230 nan 0.000 0.432 242 I N -0.283 120.265 120.570 -0.037 0.000 2.226 242 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 242 I C 2.477 178.649 176.117 0.092 0.000 1.100 242 I CA 1.319 62.648 61.300 0.048 0.000 1.374 242 I CB -1.153 36.891 38.000 0.074 0.000 1.057 242 I HN 0.370 nan 8.210 nan 0.000 0.413 243 K N 0.254 120.700 120.400 0.076 0.000 2.057 243 K HA -0.206 4.114 4.320 -0.000 0.000 0.207 243 K C 2.081 178.724 176.600 0.073 0.000 1.049 243 K CA 1.139 57.480 56.287 0.091 0.000 0.931 243 K CB -0.295 32.248 32.500 0.072 0.000 0.714 243 K HN 0.106 nan 8.250 nan 0.000 0.440 244 L N 1.835 123.092 121.223 0.057 0.000 1.994 244 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 244 L C 2.073 178.987 176.870 0.074 0.000 1.071 244 L CA 1.533 56.409 54.840 0.060 0.000 0.745 244 L CB -0.421 41.668 42.059 0.051 0.000 0.892 244 L HN 0.243 nan 8.230 nan 0.000 0.431 245 I N -3.749 116.868 120.570 0.078 0.000 2.546 245 I HA -0.160 4.010 4.170 -0.000 0.000 0.255 245 I C 1.768 177.935 176.117 0.083 0.000 1.163 245 I CA 1.103 62.473 61.300 0.116 0.000 1.457 245 I CB -0.910 37.179 38.000 0.149 0.000 1.092 245 I HN 0.165 nan 8.210 nan 0.000 0.434 246 C N 1.850 121.185 119.300 0.058 0.000 2.673 246 C HA 0.193 4.653 4.460 -0.000 0.000 0.274 246 C C 1.210 176.199 174.990 -0.003 0.000 1.276 246 C CA -0.430 58.587 59.018 -0.002 0.000 1.701 246 C CB -2.251 25.464 27.740 -0.041 0.000 1.836 246 C HN 0.491 nan 8.230 nan 0.000 0.596 247 N N 1.351 120.068 118.700 0.029 0.000 2.400 247 N HA 0.028 4.767 4.740 -0.000 0.000 0.267 247 N C 0.861 176.376 175.510 0.008 0.000 1.208 247 N CA 0.315 53.381 53.050 0.026 0.000 0.951 247 N CB 0.827 39.337 38.487 0.038 0.000 1.227 247 N HN 0.182 nan 8.380 nan 0.000 0.488 248 V N 3.279 123.190 119.914 -0.005 0.000 2.667 248 V HA -0.180 3.940 4.120 -0.000 0.000 0.252 248 V C 2.312 178.399 176.094 -0.012 0.000 1.065 248 V CA 1.293 63.583 62.300 -0.016 0.000 1.083 248 V CB -0.425 31.384 31.823 -0.023 0.000 0.692 248 V HN 0.636 nan 8.190 nan 0.000 0.468 249 Q N 1.319 121.117 119.800 -0.003 0.000 2.124 249 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 249 Q C 2.095 178.092 176.000 -0.005 0.000 0.977 249 Q CA 2.280 58.081 55.803 -0.003 0.000 0.850 249 Q CB -0.522 28.217 28.738 0.002 0.000 0.901 249 Q HN 0.552 nan 8.270 nan 0.000 0.429 250 A N 0.144 122.965 122.820 0.002 0.000 1.933 250 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 250 A C 2.123 179.700 177.584 -0.011 0.000 1.175 250 A CA 1.656 53.695 52.037 0.002 0.000 0.628 250 A CB -0.562 18.450 19.000 0.020 0.000 0.814 250 A HN 0.531 nan 8.150 nan 0.000 0.444 251 M N -0.775 118.814 119.600 -0.018 0.000 2.108 251 M HA -0.201 4.279 4.480 -0.000 0.000 0.261 251 M C 2.065 178.333 176.300 -0.053 0.000 1.066 251 M CA 1.858 57.133 55.300 -0.041 0.000 1.107 251 M CB -0.502 32.068 32.600 -0.050 0.000 1.356 251 M HN 0.486 nan 8.290 nan 0.000 0.406 252 E N 0.271 120.449 120.200 -0.037 0.000 2.058 252 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 252 E C 1.929 178.511 176.600 -0.029 0.000 0.997 252 E CA 1.386 57.769 56.400 -0.028 0.000 0.801 252 E CB -0.168 29.522 29.700 -0.016 0.000 0.746 252 E HN 0.551 nan 8.360 nan 0.000 0.450 253 E N 0.320 120.504 120.200 -0.028 0.000 2.085 253 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 253 E C 2.095 178.670 176.600 -0.043 0.000 0.994 253 E CA 1.208 57.590 56.400 -0.031 0.000 0.801 253 E CB -0.068 29.618 29.700 -0.023 0.000 0.743 253 E HN 0.269 nan 8.360 nan 0.000 0.453 254 M N -0.353 119.218 119.600 -0.049 0.000 2.175 254 M HA -0.136 4.344 4.480 -0.000 0.000 0.264 254 M C 2.158 178.405 176.300 -0.089 0.000 1.063 254 M CA 0.979 56.239 55.300 -0.066 0.000 1.119 254 M CB -0.026 32.536 32.600 -0.064 0.000 1.377 254 M HN 0.151 nan 8.290 nan 0.000 0.415 255 M N -0.396 119.149 119.600 -0.091 0.000 2.156 255 M HA -0.089 4.391 4.480 -0.000 0.000 0.264 255 M C 2.139 178.413 176.300 -0.044 0.000 1.067 255 M CA 1.695 56.934 55.300 -0.102 0.000 1.131 255 M CB -0.982 31.530 32.600 -0.147 0.000 1.368 255 M HN 0.350 nan 8.290 nan 0.000 0.416 256 M N -0.403 119.177 119.600 -0.033 0.000 2.149 256 M HA -0.199 4.281 4.480 -0.000 0.000 0.261 256 M C 1.954 178.210 176.300 -0.073 0.000 1.064 256 M CA 1.344 56.613 55.300 -0.053 0.000 1.102 256 M CB -0.502 32.069 32.600 -0.049 0.000 1.369 256 M HN 0.185 nan 8.290 nan 0.000 0.408 257 E N 0.400 120.558 120.200 -0.069 0.000 2.118 257 E HA -0.158 4.192 4.350 -0.000 0.000 0.195 257 E C 1.642 178.192 176.600 -0.083 0.000 0.992 257 E CA 1.275 57.631 56.400 -0.072 0.000 0.804 257 E CB -0.181 29.475 29.700 -0.073 0.000 0.741 257 E HN 0.604 nan 8.360 nan 0.000 0.458 258 M N 0.182 119.722 119.600 -0.100 0.000 2.563 258 M HA 0.025 4.505 4.480 -0.000 0.000 0.231 258 M C -0.077 176.160 176.300 -0.106 0.000 1.136 258 M CA 0.290 55.529 55.300 -0.103 0.000 1.026 258 M CB 0.372 32.893 32.600 -0.132 0.000 1.597 258 M HN -0.195 nan 8.290 nan 0.000 0.495 259 K N -1.974 118.343 120.400 -0.139 0.000 3.467 259 K HA -0.209 4.111 4.320 -0.000 0.000 0.309 259 K C -0.584 175.751 176.600 -0.442 0.000 1.350 259 K CA 0.756 56.895 56.287 -0.247 0.000 0.934 259 K CB -2.780 29.602 32.500 -0.197 0.000 1.312 259 K HN 0.532 nan 8.250 nan 0.000 0.461 260 Y N 2.400 122.408 120.300 -0.486 0.000 2.359 260 Y HA 0.275 4.825 4.550 -0.000 0.000 0.330 260 Y C 0.703 176.400 175.900 -0.338 0.000 1.143 260 Y CA -0.647 57.141 58.100 -0.521 0.000 1.318 260 Y CB 0.609 38.840 38.460 -0.382 0.000 1.234 260 Y HN 0.033 nan 8.280 nan 0.000 0.522 261 N N 4.132 122.297 118.700 -0.892 0.000 2.663 261 N HA -0.002 4.737 4.740 -0.000 0.000 0.250 261 N C 0.728 175.913 175.510 -0.541 0.000 1.129 261 N CA 0.490 53.192 53.050 -0.579 0.000 0.995 261 N CB 0.415 38.620 38.487 -0.469 0.000 1.324 261 N HN 0.894 nan 8.380 nan 0.000 0.512 262 T N 0.107 114.531 114.554 -0.218 0.000 2.915 262 T HA -0.145 4.205 4.350 -0.000 0.000 0.269 262 T C 1.701 176.353 174.700 -0.080 0.000 1.071 262 T CA 0.977 63.055 62.100 -0.037 0.000 1.132 262 T CB 0.137 69.034 68.868 0.048 0.000 0.878 262 T HN 0.432 nan 8.240 nan 0.000 0.479 263 K N 1.355 121.688 120.400 -0.112 0.000 2.002 263 K HA -0.079 4.240 4.320 -0.000 0.000 0.209 263 K C 2.457 178.995 176.600 -0.104 0.000 1.048 263 K CA 1.295 57.526 56.287 -0.092 0.000 0.930 263 K CB -0.115 32.331 32.500 -0.090 0.000 0.714 263 K HN 0.254 nan 8.250 nan 0.000 0.438 264 K N -0.678 119.631 120.400 -0.151 0.000 2.103 264 K HA -0.009 4.311 4.320 -0.000 0.000 0.204 264 K C 0.037 176.556 176.600 -0.135 0.000 1.052 264 K CA 1.008 57.209 56.287 -0.143 0.000 0.945 264 K CB 0.239 32.637 32.500 -0.170 0.000 0.722 264 K HN 0.199 nan 8.250 nan 0.000 0.443 265 A N 2.310 125.027 122.820 -0.172 0.000 2.893 265 A HA 0.343 4.663 4.320 -0.000 0.000 0.333 265 A C -2.711 174.882 177.584 0.015 0.000 1.152 265 A CA -1.543 50.441 52.037 -0.088 0.000 0.782 265 A CB 0.468 19.401 19.000 -0.112 0.000 1.108 265 A HN -0.096 nan 8.150 nan 0.000 0.469 266 P HA 0.109 nan 4.420 nan 0.000 0.266 266 P C 1.055 178.388 177.300 0.056 0.000 1.195 266 P CA -0.150 62.969 63.100 0.033 0.000 0.768 266 P CB 0.655 32.357 31.700 0.004 0.000 0.838 267 L N 1.795 123.048 121.223 0.051 0.000 2.131 267 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 267 L C 2.509 179.374 176.870 -0.008 0.000 1.092 267 L CA 1.853 56.698 54.840 0.008 0.000 0.759 267 L CB -1.135 40.906 42.059 -0.029 0.000 0.903 267 L HN 0.575 nan 8.230 nan 0.000 0.435 268 G N -0.521 108.278 108.800 -0.003 0.000 2.471 268 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.219 268 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.219 268 G C 1.612 176.511 174.900 -0.002 0.000 1.125 268 G CA 0.344 45.441 45.100 -0.006 0.000 0.775 268 G HN 0.147 nan 8.290 nan 0.000 0.548 269 K N -0.425 119.977 120.400 0.003 0.000 2.358 269 K HA 0.236 4.556 4.320 -0.000 0.000 0.197 269 K C 0.251 176.855 176.600 0.007 0.000 1.025 269 K CA -0.651 55.639 56.287 0.004 0.000 1.104 269 K CB 0.310 32.812 32.500 0.003 0.000 0.855 269 K HN 0.258 nan 8.250 nan 0.000 0.531 270 L N 2.686 123.912 121.223 0.005 0.000 2.513 270 L HA -0.005 4.334 4.340 -0.000 0.000 0.272 270 L C 0.259 177.125 176.870 -0.007 0.000 1.187 270 L CA 0.852 55.690 54.840 -0.003 0.000 0.895 270 L CB 0.308 42.347 42.059 -0.033 0.000 1.147 270 L HN 0.205 nan 8.230 nan 0.000 0.483 271 T N 0.971 115.524 114.554 -0.002 0.000 2.924 271 T HA 0.414 4.764 4.350 -0.000 0.000 0.291 271 T C 1.065 175.773 174.700 0.013 0.000 1.045 271 T CA -0.601 61.503 62.100 0.007 0.000 1.015 271 T CB 1.307 70.183 68.868 0.014 0.000 1.103 271 T HN 0.214 nan 8.240 nan 0.000 0.496 272 V N 1.579 121.511 119.914 0.030 0.000 2.469 272 V HA -0.125 3.995 4.120 -0.000 0.000 0.251 272 V C 3.031 179.166 176.094 0.069 0.000 1.064 272 V CA 2.467 64.801 62.300 0.058 0.000 1.066 272 V CB -1.457 30.411 31.823 0.075 0.000 0.667 272 V HN 1.073 nan 8.190 nan 0.000 0.461 273 A N -0.850 122.002 122.820 0.052 0.000 1.930 273 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 273 A C 2.169 179.773 177.584 0.034 0.000 1.175 273 A CA 1.744 53.812 52.037 0.052 0.000 0.627 273 A CB -0.411 18.613 19.000 0.040 0.000 0.815 273 A HN 0.611 nan 8.150 nan 0.000 0.443 274 Q N -0.462 119.347 119.800 0.016 0.000 2.124 274 Q HA -0.102 4.238 4.340 -0.000 0.000 0.202 274 Q C 1.947 177.933 176.000 -0.023 0.000 0.977 274 Q CA 1.602 57.404 55.803 -0.002 0.000 0.850 274 Q CB -0.332 28.402 28.738 -0.006 0.000 0.901 274 Q HN 0.757 nan 8.270 nan 0.000 0.429 275 I N 0.690 121.240 120.570 -0.032 0.000 2.252 275 I HA -0.266 3.903 4.170 -0.000 0.000 0.245 275 I C 2.478 178.546 176.117 -0.080 0.000 1.102 275 I CA 1.061 62.299 61.300 -0.102 0.000 1.385 275 I CB -0.264 37.685 38.000 -0.086 0.000 1.064 275 I HN 0.135 nan 8.210 nan 0.000 0.414 276 K N 1.683 122.108 120.400 0.040 0.000 2.057 276 K HA -0.195 4.125 4.320 -0.000 0.000 0.207 276 K C 2.194 178.855 176.600 0.102 0.000 1.049 276 K CA 1.555 57.908 56.287 0.110 0.000 0.931 276 K CB -0.124 32.484 32.500 0.181 0.000 0.714 276 K HN 0.285 nan 8.250 nan 0.000 0.440 277 A N 0.840 123.697 122.820 0.062 0.000 1.933 277 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 277 A C 2.356 179.981 177.584 0.069 0.000 1.175 277 A CA 1.799 53.871 52.037 0.059 0.000 0.628 277 A CB -1.159 17.860 19.000 0.033 0.000 0.814 277 A HN 0.570 nan 8.150 nan 0.000 0.444 278 G N -1.482 107.335 108.800 0.029 0.000 2.421 278 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 278 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 278 G C 1.445 176.442 174.900 0.163 0.000 1.171 278 G CA 1.196 46.346 45.100 0.084 0.000 0.775 278 G HN 0.495 nan 8.290 nan 0.000 0.543 279 Y N 0.997 121.324 120.300 0.045 0.000 2.165 279 Y HA -0.146 4.404 4.550 -0.000 0.000 0.286 279 Y C 3.196 179.102 175.900 0.009 0.000 1.155 279 Y CA 1.568 59.661 58.100 -0.012 0.000 1.164 279 Y CB -0.568 37.805 38.460 -0.144 0.000 0.978 279 Y HN 0.278 nan 8.280 nan 0.000 0.513 280 Q N -0.768 119.146 119.800 0.189 0.000 2.096 280 Q HA -0.193 4.146 4.340 -0.000 0.000 0.204 280 Q C 2.382 178.434 176.000 0.087 0.000 0.982 280 Q CA 2.017 57.890 55.803 0.116 0.000 0.850 280 Q CB -0.302 28.493 28.738 0.094 0.000 0.901 280 Q HN 0.373 nan 8.270 nan 0.000 0.422 281 S N 0.724 116.491 115.700 0.111 0.000 2.383 281 S HA -0.052 4.418 4.470 -0.000 0.000 0.227 281 S C 1.917 176.519 174.600 0.002 0.000 1.026 281 S CA 0.692 58.946 58.200 0.090 0.000 0.981 281 S CB -0.142 63.169 63.200 0.185 0.000 0.818 281 S HN 0.277 nan 8.310 nan 0.000 0.472 282 L N 1.181 122.384 121.223 -0.033 0.000 2.079 282 L HA -0.151 4.188 4.340 -0.000 0.000 0.210 282 L C 2.533 179.356 176.870 -0.079 0.000 1.081 282 L CA 1.206 55.942 54.840 -0.173 0.000 0.752 282 L CB -0.432 41.528 42.059 -0.165 0.000 0.896 282 L HN 0.230 nan 8.230 nan 0.000 0.433 283 K N 0.837 121.237 120.400 -0.000 0.000 2.097 283 K HA -0.165 4.155 4.320 -0.000 0.000 0.206 283 K C 1.963 178.553 176.600 -0.017 0.000 1.049 283 K CA 1.522 57.813 56.287 0.006 0.000 0.933 283 K CB -0.045 32.477 32.500 0.037 0.000 0.717 283 K HN 0.119 nan 8.250 nan 0.000 0.442 284 K N -0.039 120.350 120.400 -0.019 0.000 2.097 284 K HA -0.040 4.280 4.320 -0.000 0.000 0.205 284 K C 2.103 178.667 176.600 -0.060 0.000 1.050 284 K CA 1.536 57.806 56.287 -0.028 0.000 0.938 284 K CB -0.194 32.296 32.500 -0.016 0.000 0.718 284 K HN 0.161 nan 8.250 nan 0.000 0.442 285 I N 1.158 121.672 120.570 -0.094 0.000 2.179 285 I HA -0.277 3.893 4.170 -0.000 0.000 0.242 285 I C 2.617 178.663 176.117 -0.118 0.000 1.088 285 I CA 1.278 62.497 61.300 -0.134 0.000 1.357 285 I CB -0.221 37.657 38.000 -0.204 0.000 1.051 285 I HN 0.258 nan 8.210 nan 0.000 0.409 286 E N 1.072 121.216 120.200 -0.094 0.000 2.085 286 E HA -0.278 4.072 4.350 -0.000 0.000 0.194 286 E C 1.647 178.215 176.600 -0.053 0.000 0.994 286 E CA 1.672 58.031 56.400 -0.069 0.000 0.801 286 E CB 0.028 29.704 29.700 -0.041 0.000 0.743 286 E HN 0.415 nan 8.360 nan 0.000 0.453 287 D N 0.234 120.609 120.400 -0.042 0.000 2.133 287 D HA -0.180 4.460 4.640 -0.000 0.000 0.195 287 D C 2.061 178.336 176.300 -0.041 0.000 0.997 287 D CA 1.158 55.140 54.000 -0.031 0.000 0.840 287 D CB -0.629 40.158 40.800 -0.022 0.000 0.947 287 D HN 0.298 nan 8.370 nan 0.000 0.452 288 C N 0.377 119.637 119.300 -0.067 0.000 2.432 288 C HA -0.056 4.404 4.460 -0.000 0.000 0.277 288 C C 2.900 177.820 174.990 -0.117 0.000 1.249 288 C CA 0.006 58.972 59.018 -0.088 0.000 1.725 288 C CB -0.932 26.736 27.740 -0.121 0.000 2.028 288 C HN 0.326 nan 8.230 nan 0.000 0.477 289 I N 0.219 120.702 120.570 -0.146 0.000 2.179 289 I HA -0.199 3.971 4.170 -0.000 0.000 0.242 289 I C 2.816 178.919 176.117 -0.024 0.000 1.088 289 I CA 1.441 62.648 61.300 -0.156 0.000 1.357 289 I CB -0.549 37.373 38.000 -0.131 0.000 1.051 289 I HN 0.292 nan 8.210 nan 0.000 0.409 290 R N 0.612 121.101 120.500 -0.020 0.000 2.105 290 R HA -0.153 4.186 4.340 -0.000 0.000 0.239 290 R C 2.048 178.360 176.300 0.021 0.000 1.135 290 R CA 1.607 57.711 56.100 0.006 0.000 0.967 290 R CB -0.316 29.984 30.300 -0.001 0.000 0.861 290 R HN 0.378 nan 8.270 nan 0.000 0.442 291 A N -0.481 122.347 122.820 0.013 0.000 2.275 291 A HA 0.244 4.564 4.320 -0.000 0.000 0.212 291 A C 1.132 178.745 177.584 0.048 0.000 1.201 291 A CA 0.625 52.675 52.037 0.021 0.000 0.843 291 A CB 0.233 19.237 19.000 0.007 0.000 0.873 291 A HN 0.431 nan 8.150 nan 0.000 0.492 292 G N -0.509 108.346 108.800 0.092 0.000 2.182 292 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.248 292 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.248 292 G C -0.155 174.894 174.900 0.249 0.000 1.042 292 G CA 0.257 45.475 45.100 0.198 0.000 0.775 292 G HN 0.625 nan 8.290 nan 0.000 0.501 293 Q N -0.422 119.451 119.800 0.122 0.000 2.509 293 Q HA 0.534 4.873 4.340 -0.000 0.000 0.230 293 Q C 0.436 176.428 176.000 -0.014 0.000 1.089 293 Q CA -0.560 55.283 55.803 0.066 0.000 0.901 293 Q CB 0.499 29.235 28.738 -0.003 0.000 1.208 293 Q HN 0.590 nan 8.270 nan 0.000 0.529 294 H N 0.248 119.308 119.070 -0.017 0.000 2.652 294 H HA 0.206 4.762 4.556 -0.000 0.000 0.274 294 H C 0.997 176.315 175.328 -0.018 0.000 1.021 294 H CA 0.315 56.352 56.048 -0.019 0.000 1.187 294 H CB 0.991 30.742 29.762 -0.018 0.000 1.505 294 H HN 0.647 nan 8.280 nan 0.000 0.530 295 G N -0.560 108.285 108.800 0.076 0.000 3.329 295 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.180 295 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.180 295 G C 1.460 176.368 174.900 0.013 0.000 1.640 295 G CA 0.045 45.169 45.100 0.040 0.000 1.018 295 G HN 0.191 nan 8.290 nan 0.000 0.581 296 R N -0.145 120.360 120.500 0.009 0.000 2.103 296 R HA -0.059 4.281 4.340 -0.000 0.000 0.242 296 R C 2.939 179.235 176.300 -0.006 0.000 1.142 296 R CA 2.391 58.492 56.100 0.002 0.000 0.960 296 R CB -1.390 28.912 30.300 0.003 0.000 0.858 296 R HN 0.746 nan 8.270 nan 0.000 0.439 297 A N 0.522 123.337 122.820 -0.009 0.000 1.902 297 A HA -0.034 4.286 4.320 -0.000 0.000 0.217 297 A C 2.282 179.843 177.584 -0.038 0.000 1.181 297 A CA 1.693 53.719 52.037 -0.019 0.000 0.623 297 A CB -0.692 18.298 19.000 -0.017 0.000 0.818 297 A HN 0.482 nan 8.150 nan 0.000 0.443 298 L N -0.378 120.811 121.223 -0.056 0.000 2.056 298 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 298 L C 2.544 179.378 176.870 -0.060 0.000 1.078 298 L CA 2.054 56.841 54.840 -0.088 0.000 0.749 298 L CB -0.539 41.438 42.059 -0.137 0.000 0.901 298 L HN 0.450 nan 8.230 nan 0.000 0.433 299 M N -0.943 118.638 119.600 -0.031 0.000 2.144 299 M HA -0.217 4.263 4.480 -0.000 0.000 0.260 299 M C 1.962 178.263 176.300 0.001 0.000 1.067 299 M CA 1.750 57.045 55.300 -0.008 0.000 1.095 299 M CB -0.581 32.020 32.600 0.001 0.000 1.365 299 M HN 0.308 nan 8.290 nan 0.000 0.406 300 E N 0.405 120.600 120.200 -0.007 0.000 2.112 300 E HA -0.037 4.313 4.350 -0.000 0.000 0.190 300 E C 2.220 178.816 176.600 -0.007 0.000 0.979 300 E CA 1.202 57.603 56.400 0.001 0.000 0.814 300 E CB -0.224 29.476 29.700 -0.000 0.000 0.762 300 E HN 0.516 nan 8.360 nan 0.000 0.460 301 A N 1.492 124.293 122.820 -0.031 0.000 1.902 301 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 301 A C 2.572 180.111 177.584 -0.074 0.000 1.181 301 A CA 1.263 53.271 52.037 -0.048 0.000 0.623 301 A CB -0.951 18.006 19.000 -0.072 0.000 0.818 301 A HN 0.320 nan 8.150 nan 0.000 0.443 302 C N -0.035 119.200 119.300 -0.108 0.000 2.413 302 C HA -0.104 4.356 4.460 -0.000 0.000 0.276 302 C C 2.638 177.522 174.990 -0.177 0.000 1.248 302 C CA 1.112 59.997 59.018 -0.222 0.000 1.742 302 C CB -1.496 26.156 27.740 -0.146 0.000 2.017 302 C HN 0.628 nan 8.230 nan 0.000 0.481 303 N N 0.386 119.114 118.700 0.047 0.000 2.244 303 N HA -0.132 4.608 4.740 -0.000 0.000 0.183 303 N C 1.865 177.440 175.510 0.108 0.000 1.016 303 N CA 0.900 54.056 53.050 0.177 0.000 0.866 303 N CB -0.461 38.115 38.487 0.148 0.000 0.980 303 N HN 0.703 nan 8.380 nan 0.000 0.430 304 E N 0.559 120.789 120.200 0.050 0.000 2.106 304 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 304 E C 1.800 178.428 176.600 0.047 0.000 0.984 304 E CA 0.519 56.945 56.400 0.042 0.000 0.806 304 E CB -0.142 29.577 29.700 0.032 0.000 0.750 304 E HN 0.231 nan 8.360 nan 0.000 0.458 305 F N 0.747 120.613 119.950 -0.141 0.000 2.126 305 F HA -0.247 4.280 4.527 -0.000 0.000 0.299 305 F C 1.630 177.383 175.800 -0.078 0.000 1.096 305 F CA 1.499 59.396 58.000 -0.173 0.000 1.255 305 F CB -0.470 38.327 39.000 -0.339 0.000 0.997 305 F HN 0.053 nan 8.300 nan 0.000 0.479 306 Y N 0.506 120.751 120.300 -0.092 0.000 2.352 306 Y HA -0.109 4.441 4.550 -0.000 0.000 0.292 306 Y C 2.675 178.486 175.900 -0.149 0.000 1.136 306 Y CA 1.412 59.404 58.100 -0.179 0.000 1.227 306 Y CB -1.512 36.949 38.460 0.003 0.000 0.991 306 Y HN 0.051 nan 8.280 nan 0.000 0.545 307 T N -0.358 114.218 114.554 0.037 0.000 2.812 307 T HA -0.108 4.242 4.350 -0.000 0.000 0.264 307 T C 1.991 176.653 174.700 -0.063 0.000 1.042 307 T CA 1.215 63.311 62.100 -0.007 0.000 1.140 307 T CB -0.064 68.810 68.868 0.011 0.000 0.870 307 T HN 0.300 nan 8.240 nan 0.000 0.445 308 R N 0.320 120.759 120.500 -0.102 0.000 2.115 308 R HA 0.116 4.456 4.340 -0.000 0.000 0.226 308 R C 0.185 176.386 176.300 -0.165 0.000 1.100 308 R CA 0.757 56.789 56.100 -0.112 0.000 0.980 308 R CB 0.158 30.406 30.300 -0.087 0.000 0.875 308 R HN 0.281 nan 8.270 nan 0.000 0.445 309 I N 2.216 122.604 120.570 -0.303 0.000 2.668 309 I HA 0.284 4.454 4.170 -0.000 0.000 0.276 309 I C -2.599 173.436 176.117 -0.138 0.000 1.139 309 I CA -3.147 58.006 61.300 -0.246 0.000 1.133 309 I CB 1.009 38.718 38.000 -0.486 0.000 1.327 309 I HN -0.305 nan 8.210 nan 0.000 0.520 310 P HA 0.108 nan 4.420 nan 0.000 0.264 310 P C -0.580 176.517 177.300 -0.339 0.000 1.193 310 P CA 0.600 63.562 63.100 -0.231 0.000 0.763 310 P CB 0.377 31.879 31.700 -0.331 0.000 0.810 311 H N 0.512 119.341 119.070 -0.402 0.000 2.710 311 H HA 0.459 5.014 4.556 -0.000 0.000 0.361 311 H C -0.522 174.438 175.328 -0.613 0.000 1.175 311 H CA -0.348 55.349 56.048 -0.585 0.000 1.206 311 H CB 1.047 30.282 29.762 -0.879 0.000 1.750 311 H HN 0.239 nan 8.280 nan 0.000 0.553 312 D N 1.651 121.715 120.400 -0.560 0.000 2.464 312 D HA 0.126 4.766 4.640 -0.000 0.000 0.243 312 D C -0.670 175.379 176.300 -0.419 0.000 1.104 312 D CA -0.317 53.452 54.000 -0.385 0.000 0.883 312 D CB -0.111 40.531 40.800 -0.263 0.000 1.050 312 D HN 0.328 nan 8.370 nan 0.000 0.524 313 F N 1.724 121.620 119.950 -0.091 0.000 2.660 313 F HA 0.321 4.848 4.527 -0.000 0.000 0.302 313 F C 1.987 177.743 175.800 -0.072 0.000 1.103 313 F CA 0.134 58.081 58.000 -0.089 0.000 1.340 313 F CB 0.144 39.061 39.000 -0.140 0.000 1.048 313 F HN 0.546 nan 8.300 nan 0.000 0.551 314 G N 1.153 109.985 108.800 0.053 0.000 2.596 314 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.304 314 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.304 314 G C 0.883 175.800 174.900 0.029 0.000 1.189 314 G CA 0.522 45.635 45.100 0.022 0.000 0.986 314 G HN 0.258 nan 8.290 nan 0.000 0.548 315 L N 1.288 122.524 121.223 0.022 0.000 2.607 315 L HA 0.300 4.640 4.340 -0.000 0.000 0.228 315 L C 1.651 178.524 176.870 0.004 0.000 1.123 315 L CA 0.056 54.901 54.840 0.009 0.000 0.890 315 L CB 0.073 42.132 42.059 -0.000 0.000 1.103 315 L HN 0.473 nan 8.230 nan 0.000 0.468 316 R N 0.419 120.928 120.500 0.014 0.000 2.539 316 R HA 0.155 4.495 4.340 -0.000 0.000 0.275 316 R C -0.210 176.050 176.300 -0.067 0.000 1.077 316 R CA -0.317 55.770 56.100 -0.022 0.000 1.097 316 R CB 0.752 31.043 30.300 -0.014 0.000 1.018 316 R HN -0.083 nan 8.270 nan 0.000 0.483 317 T N 6.703 121.199 114.554 -0.096 0.000 2.871 317 T HA 0.066 4.416 4.350 -0.000 0.000 0.296 317 T C -2.247 172.282 174.700 -0.284 0.000 0.998 317 T CA -0.516 61.506 62.100 -0.131 0.000 1.162 317 T CB 0.467 69.273 68.868 -0.103 0.000 0.947 317 T HN 0.501 nan 8.240 nan 0.000 0.536 318 P HA 0.128 nan 4.420 nan 0.000 0.262 318 P C -2.192 174.812 177.300 -0.493 0.000 1.199 318 P CA -0.977 61.704 63.100 -0.698 0.000 0.763 318 P CB -0.189 31.263 31.700 -0.413 0.000 0.790 319 P HA 0.141 nan 4.420 nan 0.000 0.278 319 P C -0.493 176.776 177.300 -0.052 0.000 1.238 319 P CA -0.297 62.635 63.100 -0.279 0.000 0.794 319 P CB 0.621 32.148 31.700 -0.288 0.000 0.955 320 L N 2.782 123.985 121.223 -0.032 0.000 2.453 320 L HA 0.223 4.563 4.340 -0.000 0.000 0.261 320 L C 0.673 177.528 176.870 -0.025 0.000 1.179 320 L CA 0.008 54.841 54.840 -0.011 0.000 0.813 320 L CB -0.187 41.856 42.059 -0.026 0.000 1.110 320 L HN 0.286 nan 8.230 nan 0.000 0.466 321 I N 3.188 123.714 120.570 -0.074 0.000 2.328 321 I HA 0.344 4.514 4.170 -0.000 0.000 0.287 321 I C 0.698 176.746 176.117 -0.115 0.000 1.012 321 I CA -0.100 61.138 61.300 -0.104 0.000 1.195 321 I CB 0.517 38.397 38.000 -0.199 0.000 1.350 321 I HN 0.688 nan 8.210 nan 0.000 0.464 322 R N 2.311 122.766 120.500 -0.077 0.000 2.637 322 R HA 0.182 4.521 4.340 -0.000 0.000 0.262 322 R C 0.188 176.471 176.300 -0.029 0.000 0.959 322 R CA -0.138 55.919 56.100 -0.072 0.000 1.061 322 R CB 0.190 30.476 30.300 -0.022 0.000 1.610 322 R HN 0.513 nan 8.270 nan 0.000 0.548 323 T N -2.113 112.428 114.554 -0.022 0.000 2.943 323 T HA 0.118 4.468 4.350 -0.000 0.000 0.284 323 T C 0.832 175.511 174.700 -0.034 0.000 1.015 323 T CA -0.785 61.308 62.100 -0.012 0.000 1.042 323 T CB 2.277 71.144 68.868 -0.002 0.000 1.055 323 T HN -0.021 nan 8.240 nan 0.000 0.500 324 Q N 0.823 120.606 119.800 -0.030 0.000 2.096 324 Q HA -0.206 4.134 4.340 -0.000 0.000 0.204 324 Q C 2.026 177.993 176.000 -0.054 0.000 0.982 324 Q CA 1.883 57.658 55.803 -0.047 0.000 0.850 324 Q CB -0.315 28.398 28.738 -0.042 0.000 0.901 324 Q HN 0.886 nan 8.270 nan 0.000 0.422 325 K N 0.244 120.624 120.400 -0.033 0.000 2.032 325 K HA -0.189 4.130 4.320 -0.000 0.000 0.209 325 K C 1.850 178.432 176.600 -0.030 0.000 1.048 325 K CA 1.793 58.066 56.287 -0.023 0.000 0.927 325 K CB 0.006 32.505 32.500 -0.002 0.000 0.712 325 K HN 0.255 nan 8.250 nan 0.000 0.441 326 E N 0.244 120.425 120.200 -0.031 0.000 2.107 326 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 326 E C 1.945 178.503 176.600 -0.069 0.000 0.982 326 E CA 0.659 57.040 56.400 -0.031 0.000 0.809 326 E CB 0.013 29.697 29.700 -0.026 0.000 0.756 326 E HN 0.160 nan 8.360 nan 0.000 0.459 327 L N 0.615 121.780 121.223 -0.097 0.000 2.056 327 L HA -0.125 4.214 4.340 -0.000 0.000 0.207 327 L C 2.367 179.159 176.870 -0.130 0.000 1.078 327 L CA 1.597 56.354 54.840 -0.138 0.000 0.749 327 L CB -0.618 41.364 42.059 -0.128 0.000 0.901 327 L HN -0.024 nan 8.230 nan 0.000 0.433 328 S N -0.818 114.810 115.700 -0.119 0.000 2.370 328 S HA -0.254 4.216 4.470 -0.000 0.000 0.226 328 S C 1.931 176.474 174.600 -0.095 0.000 1.033 328 S CA 1.729 59.845 58.200 -0.140 0.000 1.011 328 S CB -0.255 62.867 63.200 -0.131 0.000 0.852 328 S HN 0.589 nan 8.310 nan 0.000 0.457 329 E N 0.180 120.346 120.200 -0.058 0.000 2.085 329 E HA -0.136 4.214 4.350 -0.000 0.000 0.194 329 E C 2.264 178.857 176.600 -0.012 0.000 0.994 329 E CA 1.114 57.493 56.400 -0.034 0.000 0.801 329 E CB 0.021 29.720 29.700 -0.001 0.000 0.743 329 E HN 0.284 nan 8.360 nan 0.000 0.453 330 K N 0.470 120.863 120.400 -0.011 0.000 2.097 330 K HA -0.099 4.221 4.320 -0.000 0.000 0.205 330 K C 2.104 178.702 176.600 -0.003 0.000 1.050 330 K CA 0.876 57.176 56.287 0.022 0.000 0.938 330 K CB -0.357 32.028 32.500 -0.193 0.000 0.718 330 K HN 0.245 nan 8.250 nan 0.000 0.442 331 I N 1.281 121.828 120.570 -0.039 0.000 2.226 331 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 331 I C 2.450 178.586 176.117 0.032 0.000 1.100 331 I CA 1.315 62.640 61.300 0.040 0.000 1.374 331 I CB -0.226 37.778 38.000 0.007 0.000 1.057 331 I HN 0.243 nan 8.210 nan 0.000 0.413 332 Q N 0.005 119.789 119.800 -0.028 0.000 2.167 332 Q HA -0.214 4.126 4.340 -0.000 0.000 0.202 332 Q C 2.214 178.171 176.000 -0.072 0.000 0.970 332 Q CA 1.146 56.922 55.803 -0.045 0.000 0.855 332 Q CB -0.123 28.569 28.738 -0.077 0.000 0.911 332 Q HN 0.390 nan 8.270 nan 0.000 0.438 333 L N 0.501 121.688 121.223 -0.061 0.000 2.017 333 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 333 L C 1.842 178.636 176.870 -0.126 0.000 1.073 333 L CA 1.759 56.550 54.840 -0.081 0.000 0.745 333 L CB -0.541 41.529 42.059 0.018 0.000 0.894 333 L HN 0.198 nan 8.230 nan 0.000 0.432 334 L N -0.764 120.386 121.223 -0.121 0.000 2.093 334 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 334 L C 2.532 179.321 176.870 -0.135 0.000 1.085 334 L CA 1.313 55.998 54.840 -0.259 0.000 0.755 334 L CB -0.634 41.012 42.059 -0.689 0.000 0.904 334 L HN 0.389 nan 8.230 nan 0.000 0.435 335 E N 0.381 120.584 120.200 0.005 0.000 2.085 335 E HA -0.233 4.116 4.350 -0.000 0.000 0.194 335 E C 2.301 178.876 176.600 -0.042 0.000 0.994 335 E CA 1.299 57.733 56.400 0.057 0.000 0.801 335 E CB -0.143 29.608 29.700 0.086 0.000 0.743 335 E HN 0.501 nan 8.360 nan 0.000 0.453 336 A N 1.117 123.878 122.820 -0.098 0.000 1.873 336 A HA -0.145 4.175 4.320 -0.000 0.000 0.215 336 A C 2.199 179.684 177.584 -0.165 0.000 1.186 336 A CA 0.975 52.929 52.037 -0.138 0.000 0.616 336 A CB -0.646 18.258 19.000 -0.162 0.000 0.823 336 A HN 0.130 nan 8.150 nan 0.000 0.442 337 L N -0.551 120.546 121.223 -0.210 0.000 2.079 337 L HA -0.175 4.164 4.340 -0.000 0.000 0.210 337 L C 2.813 179.590 176.870 -0.155 0.000 1.081 337 L CA 1.124 55.816 54.840 -0.247 0.000 0.752 337 L CB -0.839 41.024 42.059 -0.326 0.000 0.896 337 L HN 0.509 nan 8.230 nan 0.000 0.433 338 G N -0.464 108.275 108.800 -0.101 0.000 2.418 338 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.217 338 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.217 338 G C 1.157 176.009 174.900 -0.081 0.000 1.158 338 G CA 0.909 45.981 45.100 -0.045 0.000 0.771 338 G HN 0.303 nan 8.290 nan 0.000 0.545 339 D N 0.222 120.564 120.400 -0.097 0.000 2.224 339 D HA 0.022 4.662 4.640 -0.000 0.000 0.205 339 D C 2.500 178.740 176.300 -0.100 0.000 0.965 339 D CA 0.209 54.142 54.000 -0.112 0.000 0.852 339 D CB 0.045 40.774 40.800 -0.119 0.000 0.947 339 D HN 0.369 nan 8.370 nan 0.000 0.494 340 I N 0.802 121.307 120.570 -0.108 0.000 2.286 340 I HA -0.159 4.011 4.170 -0.000 0.000 0.245 340 I C 2.450 178.517 176.117 -0.083 0.000 1.104 340 I CA 0.703 61.943 61.300 -0.100 0.000 1.397 340 I CB -0.040 37.880 38.000 -0.133 0.000 1.072 340 I HN -0.075 nan 8.210 nan 0.000 0.417 341 E N 1.795 121.944 120.200 -0.084 0.000 2.058 341 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 341 E C 2.237 178.811 176.600 -0.042 0.000 0.997 341 E CA 1.706 58.072 56.400 -0.057 0.000 0.801 341 E CB -0.162 29.509 29.700 -0.048 0.000 0.746 341 E HN 0.480 nan 8.360 nan 0.000 0.450 342 I N 0.948 121.481 120.570 -0.061 0.000 2.127 342 I HA -0.316 3.854 4.170 -0.000 0.000 0.241 342 I C 2.701 178.808 176.117 -0.016 0.000 1.075 342 I CA 1.355 62.627 61.300 -0.047 0.000 1.334 342 I CB -0.475 37.439 38.000 -0.142 0.000 1.040 342 I HN 0.107 nan 8.210 nan 0.000 0.405 343 A N 0.949 123.748 122.820 -0.035 0.000 1.883 343 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 343 A C 2.303 179.858 177.584 -0.048 0.000 1.186 343 A CA 1.686 53.702 52.037 -0.035 0.000 0.624 343 A CB -0.938 18.038 19.000 -0.040 0.000 0.822 343 A HN 0.414 nan 8.150 nan 0.000 0.444 344 I N -0.702 119.841 120.570 -0.044 0.000 2.286 344 I HA -0.282 3.888 4.170 -0.000 0.000 0.248 344 I C 2.499 178.602 176.117 -0.024 0.000 1.115 344 I CA 1.611 62.887 61.300 -0.040 0.000 1.392 344 I CB -0.251 37.729 38.000 -0.034 0.000 1.065 344 I HN 0.317 nan 8.210 nan 0.000 0.418 345 K N 0.513 120.908 120.400 -0.008 0.000 2.057 345 K HA -0.155 4.165 4.320 -0.000 0.000 0.206 345 K C 2.161 178.771 176.600 0.017 0.000 1.050 345 K CA 1.188 57.482 56.287 0.012 0.000 0.935 345 K CB -0.192 32.326 32.500 0.030 0.000 0.715 345 K HN 0.228 nan 8.250 nan 0.000 0.439 346 L N 1.186 122.416 121.223 0.012 0.000 2.083 346 L HA -0.132 4.208 4.340 -0.000 0.000 0.209 346 L C 1.947 178.805 176.870 -0.021 0.000 1.083 346 L CA 1.009 55.859 54.840 0.018 0.000 0.752 346 L CB -0.047 42.027 42.059 0.024 0.000 0.899 346 L HN 0.042 nan 8.230 nan 0.000 0.433 347 V N -3.378 116.468 119.914 -0.115 0.000 3.573 347 V HA 0.026 4.146 4.120 -0.000 0.000 0.270 347 V C 0.964 177.039 176.094 -0.031 0.000 1.221 347 V CA -0.091 62.037 62.300 -0.287 0.000 1.163 347 V CB -1.219 30.330 31.823 -0.456 0.000 0.847 347 V HN 0.201 nan 8.190 nan 0.000 0.468 348 K N 2.760 123.174 120.400 0.023 0.000 2.451 348 K HA 0.298 4.618 4.320 -0.000 0.000 0.280 348 K C 0.615 177.276 176.600 0.102 0.000 1.020 348 K CA 0.732 57.053 56.287 0.056 0.000 1.008 348 K CB 0.672 33.194 32.500 0.038 0.000 0.917 348 K HN 0.700 nan 8.250 nan 0.000 0.478 349 T N -0.528 114.084 114.554 0.097 0.000 2.940 349 T HA 0.275 4.625 4.350 -0.000 0.000 0.288 349 T C -0.177 174.550 174.700 0.045 0.000 1.033 349 T CA -1.062 61.089 62.100 0.085 0.000 1.033 349 T CB 1.478 70.392 68.868 0.077 0.000 1.079 349 T HN 0.411 nan 8.240 nan 0.000 0.496 350 E N 1.304 121.523 120.200 0.031 0.000 2.089 350 E HA 0.251 4.601 4.350 -0.000 0.000 0.284 350 E C 0.916 177.520 176.600 0.006 0.000 1.023 350 E CA -0.313 56.098 56.400 0.019 0.000 0.819 350 E CB 0.771 30.481 29.700 0.018 0.000 1.076 350 E HN 0.552 nan 8.360 nan 0.000 0.396 351 L N 2.555 123.780 121.223 0.003 0.000 2.081 351 L HA -0.253 4.087 4.340 -0.000 0.000 0.212 351 L C 1.793 178.656 176.870 -0.013 0.000 1.080 351 L CA 1.107 55.943 54.840 -0.007 0.000 0.754 351 L CB -0.244 41.812 42.059 -0.005 0.000 0.893 351 L HN 0.515 nan 8.230 nan 0.000 0.433 352 Q N -0.566 119.231 119.800 -0.005 0.000 2.280 352 Q HA 0.128 4.467 4.340 -0.000 0.000 0.201 352 Q C 0.807 176.805 176.000 -0.003 0.000 0.890 352 Q CA 0.036 55.835 55.803 -0.005 0.000 0.947 352 Q CB 0.437 29.174 28.738 -0.000 0.000 1.081 352 Q HN 0.291 nan 8.270 nan 0.000 0.502 353 S N 2.740 118.438 115.700 -0.004 0.000 2.572 353 S HA 0.134 4.604 4.470 -0.000 0.000 0.279 353 S C -1.288 173.310 174.600 -0.004 0.000 1.341 353 S CA -1.046 57.155 58.200 0.001 0.000 1.043 353 S CB 0.799 64.001 63.200 0.004 0.000 0.887 353 S HN 0.040 nan 8.310 nan 0.000 0.516 354 P HA 0.097 nan 4.420 nan 0.000 0.236 354 P C -0.159 177.151 177.300 0.017 0.000 1.177 354 P CA 0.358 63.465 63.100 0.011 0.000 0.773 354 P CB 0.046 31.759 31.700 0.022 0.000 0.878 355 E N 0.571 120.782 120.200 0.019 0.000 2.316 355 E HA 0.016 4.365 4.350 -0.000 0.000 0.275 355 E C 0.335 176.952 176.600 0.029 0.000 1.029 355 E CA -0.418 56.003 56.400 0.036 0.000 0.871 355 E CB 0.326 30.045 29.700 0.033 0.000 1.022 355 E HN 0.233 nan 8.360 nan 0.000 0.418 356 H N 4.480 123.525 119.070 -0.041 0.000 2.972 356 H HA -0.037 4.519 4.556 -0.000 0.000 0.343 356 H C -1.755 173.500 175.328 -0.122 0.000 1.054 356 H CA -1.057 54.948 56.048 -0.071 0.000 1.412 356 H CB 0.999 30.720 29.762 -0.067 0.000 1.385 356 H HN 0.356 nan 8.280 nan 0.000 0.600 357 P HA -0.160 nan 4.420 nan 0.000 0.216 357 P C 1.789 178.792 177.300 -0.496 0.000 1.150 357 P CA 1.234 64.169 63.100 -0.276 0.000 0.843 357 P CB 0.169 31.721 31.700 -0.247 0.000 0.787 358 L N -0.849 120.355 121.223 -0.031 0.000 2.131 358 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 358 L C 2.031 178.868 176.870 -0.054 0.000 1.092 358 L CA 1.371 56.140 54.840 -0.118 0.000 0.759 358 L CB -0.990 41.056 42.059 -0.023 0.000 0.903 358 L HN -0.024 nan 8.230 nan 0.000 0.435 359 D N -0.069 120.335 120.400 0.007 0.000 2.144 359 D HA -0.172 4.468 4.640 -0.000 0.000 0.200 359 D C 2.320 178.662 176.300 0.070 0.000 0.978 359 D CA 1.097 55.136 54.000 0.066 0.000 0.833 359 D CB -0.037 40.804 40.800 0.068 0.000 0.961 359 D HN 0.430 nan 8.370 nan 0.000 0.470 360 Q N -0.355 119.439 119.800 -0.011 0.000 2.084 360 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 360 Q C 2.103 178.163 176.000 0.100 0.000 0.978 360 Q CA 0.972 56.785 55.803 0.016 0.000 0.844 360 Q CB -0.111 28.625 28.738 -0.003 0.000 0.898 360 Q HN 0.467 nan 8.270 nan 0.000 0.426 361 H N -0.616 118.501 119.070 0.078 0.000 2.293 361 H HA -0.170 4.386 4.556 -0.000 0.000 0.300 361 H C 1.797 177.166 175.328 0.068 0.000 1.082 361 H CA 1.443 57.531 56.048 0.067 0.000 1.308 361 H CB -0.949 28.863 29.762 0.083 0.000 1.375 361 H HN 0.322 nan 8.280 nan 0.000 0.495 362 Y N 2.024 122.375 120.300 0.086 0.000 2.114 362 Y HA -0.279 4.271 4.550 -0.000 0.000 0.282 362 Y C 2.939 178.813 175.900 -0.043 0.000 1.165 362 Y CA 2.147 60.256 58.100 0.016 0.000 1.148 362 Y CB -0.267 38.192 38.460 -0.002 0.000 0.972 362 Y HN 0.037 nan 8.280 nan 0.000 0.504 363 R N 0.248 120.683 120.500 -0.108 0.000 2.091 363 R HA -0.203 4.136 4.340 -0.000 0.000 0.238 363 R C 1.844 177.865 176.300 -0.465 0.000 1.136 363 R CA 1.921 57.853 56.100 -0.280 0.000 0.959 363 R CB -0.382 29.844 30.300 -0.123 0.000 0.856 363 R HN 0.354 nan 8.270 nan 0.000 0.437 364 N N 0.707 119.245 118.700 -0.270 0.000 2.443 364 N HA -0.129 4.611 4.740 -0.000 0.000 0.184 364 N C 1.617 176.966 175.510 -0.267 0.000 1.037 364 N CA 0.907 53.792 53.050 -0.275 0.000 0.896 364 N CB -0.105 38.361 38.487 -0.034 0.000 0.959 364 N HN 0.339 nan 8.380 nan 0.000 0.442 365 L N -0.451 120.636 121.223 -0.226 0.000 2.201 365 L HA -0.086 4.253 4.340 -0.000 0.000 0.212 365 L C -0.084 176.719 176.870 -0.113 0.000 1.105 365 L CA 0.628 55.395 54.840 -0.121 0.000 0.775 365 L CB -0.763 41.240 42.059 -0.093 0.000 0.913 365 L HN 0.298 nan 8.230 nan 0.000 0.440 366 H N -2.090 116.896 119.070 -0.140 0.000 2.692 366 H HA -0.198 4.358 4.556 -0.000 0.000 0.316 366 H C -0.241 175.013 175.328 -0.122 0.000 1.176 366 H CA 0.475 56.446 56.048 -0.129 0.000 1.142 366 H CB -1.438 28.271 29.762 -0.089 0.000 1.475 366 H HN 0.354 nan 8.280 nan 0.000 0.423 367 C N 1.081 120.298 119.300 -0.138 0.000 2.817 367 C HA 0.684 5.144 4.460 -0.000 0.000 0.385 367 C C 0.175 175.092 174.990 -0.122 0.000 1.050 367 C CA 0.063 59.035 59.018 -0.076 0.000 1.245 367 C CB -0.154 27.576 27.740 -0.017 0.000 1.706 367 C HN 0.763 nan 8.230 nan 0.000 0.488 368 A N 5.937 128.739 122.820 -0.031 0.000 2.425 368 A HA 0.702 5.022 4.320 -0.000 0.000 0.249 368 A C -0.755 176.931 177.584 0.170 0.000 1.084 368 A CA 0.052 52.139 52.037 0.083 0.000 0.781 368 A CB 0.265 19.316 19.000 0.085 0.000 1.019 368 A HN 0.949 nan 8.150 nan 0.000 0.490 369 L N 3.226 124.643 121.223 0.324 0.000 2.406 369 L HA 0.474 4.814 4.340 -0.000 0.000 0.270 369 L C -0.090 176.944 176.870 0.275 0.000 0.982 369 L CA -0.181 54.814 54.840 0.258 0.000 0.843 369 L CB 1.683 43.852 42.059 0.184 0.000 1.225 369 L HN 0.754 nan 8.230 nan 0.000 0.412 370 R N 3.562 124.231 120.500 0.282 0.000 2.439 370 R HA 0.460 4.800 4.340 -0.000 0.000 0.310 370 R C -2.642 173.798 176.300 0.232 0.000 0.955 370 R CA -1.925 54.309 56.100 0.223 0.000 0.853 370 R CB 2.072 32.458 30.300 0.144 0.000 1.171 370 R HN 0.203 nan 8.270 nan 0.000 0.449 371 P HA 0.066 nan 4.420 nan 0.000 0.271 371 P C -0.489 176.785 177.300 -0.042 0.000 1.216 371 P CA 0.088 63.133 63.100 -0.091 0.000 0.771 371 P CB 0.679 32.326 31.700 -0.087 0.000 0.864 372 L N 2.034 123.224 121.223 -0.055 0.000 2.344 372 L HA 0.397 4.737 4.340 -0.000 0.000 0.272 372 L C 0.820 177.723 176.870 0.055 0.000 1.035 372 L CA -0.919 53.949 54.840 0.047 0.000 0.807 372 L CB 0.916 43.045 42.059 0.117 0.000 1.237 372 L HN 0.297 nan 8.230 nan 0.000 0.442 373 D N 0.256 120.676 120.400 0.035 0.000 2.351 373 D HA 0.012 4.651 4.640 -0.000 0.000 0.251 373 D C 1.014 177.266 176.300 -0.081 0.000 1.137 373 D CA 0.175 54.163 54.000 -0.021 0.000 0.879 373 D CB 0.764 41.552 40.800 -0.021 0.000 1.181 373 D HN 0.476 nan 8.370 nan 0.000 0.448 374 H N 2.075 120.837 119.070 -0.513 0.000 2.521 374 H HA -0.045 4.511 4.556 -0.000 0.000 0.286 374 H C 0.387 175.337 175.328 -0.630 0.000 1.034 374 H CA 0.433 55.809 56.048 -1.121 0.000 1.278 374 H CB 0.861 29.985 29.762 -1.063 0.000 1.386 374 H HN 0.419 nan 8.280 nan 0.000 0.567 375 E N 1.145 121.245 120.200 -0.167 0.000 2.437 375 E HA 0.028 4.377 4.350 -0.000 0.000 0.189 375 E C 0.645 177.254 176.600 0.016 0.000 1.054 375 E CA -0.066 56.300 56.400 -0.057 0.000 0.874 375 E CB 0.251 29.926 29.700 -0.041 0.000 1.011 375 E HN 0.321 nan 8.360 nan 0.000 0.474 376 S N -0.387 115.338 115.700 0.041 0.000 2.632 376 S HA 0.149 4.619 4.470 -0.000 0.000 0.271 376 S C 1.017 175.708 174.600 0.151 0.000 1.260 376 S CA -0.746 57.516 58.200 0.103 0.000 1.010 376 S CB 1.066 64.329 63.200 0.106 0.000 0.965 376 S HN 0.171 nan 8.310 nan 0.000 0.534 377 Y N 1.419 121.747 120.300 0.046 0.000 2.128 377 Y HA -0.159 4.391 4.550 -0.000 0.000 0.284 377 Y C 2.194 178.107 175.900 0.022 0.000 1.154 377 Y CA 2.277 60.398 58.100 0.034 0.000 1.149 377 Y CB -0.596 37.875 38.460 0.018 0.000 0.976 377 Y HN 0.909 nan 8.280 nan 0.000 0.505 378 E N -0.690 119.493 120.200 -0.029 0.000 2.070 378 E HA -0.291 4.059 4.350 -0.000 0.000 0.197 378 E C 2.071 178.526 176.600 -0.242 0.000 1.004 378 E CA 1.707 57.995 56.400 -0.187 0.000 0.805 378 E CB -0.573 29.104 29.700 -0.037 0.000 0.744 378 E HN 0.571 nan 8.360 nan 0.000 0.451 379 F N 1.775 121.589 119.950 -0.228 0.000 2.134 379 F HA -0.214 4.313 4.527 -0.000 0.000 0.299 379 F C 2.365 178.026 175.800 -0.232 0.000 1.097 379 F CA 1.554 59.412 58.000 -0.237 0.000 1.264 379 F CB 0.059 38.943 39.000 -0.193 0.000 1.001 379 F HN -0.183 nan 8.300 nan 0.000 0.479 380 K N 0.216 120.624 120.400 0.013 0.000 2.002 380 K HA -0.160 4.160 4.320 -0.000 0.000 0.209 380 K C 1.960 178.422 176.600 -0.230 0.000 1.048 380 K CA 2.016 58.259 56.287 -0.072 0.000 0.930 380 K CB -0.532 31.952 32.500 -0.026 0.000 0.714 380 K HN 0.238 nan 8.250 nan 0.000 0.438 381 V N 2.001 121.670 119.914 -0.408 0.000 2.343 381 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 381 V C 2.451 178.396 176.094 -0.248 0.000 1.051 381 V CA 1.309 63.381 62.300 -0.379 0.000 1.036 381 V CB -0.394 31.079 31.823 -0.583 0.000 0.654 381 V HN 0.324 nan 8.190 nan 0.000 0.451 382 I N 0.246 120.618 120.570 -0.330 0.000 2.315 382 I HA -0.152 4.018 4.170 -0.000 0.000 0.248 382 I C 2.566 178.561 176.117 -0.203 0.000 1.117 382 I CA 1.478 62.617 61.300 -0.269 0.000 1.404 382 I CB -1.374 36.343 38.000 -0.472 0.000 1.071 382 I HN 0.282 nan 8.210 nan 0.000 0.419 383 S N 0.327 115.816 115.700 -0.351 0.000 2.368 383 S HA -0.203 4.266 4.470 -0.000 0.000 0.225 383 S C 1.884 176.422 174.600 -0.103 0.000 1.030 383 S CA 1.107 59.140 58.200 -0.278 0.000 0.999 383 S CB -0.230 62.793 63.200 -0.295 0.000 0.844 383 S HN 0.521 nan 8.310 nan 0.000 0.459 384 Q N -0.623 119.138 119.800 -0.066 0.000 2.124 384 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 384 Q C 1.911 177.980 176.000 0.114 0.000 0.977 384 Q CA 1.264 57.070 55.803 0.005 0.000 0.850 384 Q CB -0.267 28.466 28.738 -0.009 0.000 0.901 384 Q HN 0.575 nan 8.270 nan 0.000 0.429 385 Y N 1.352 121.641 120.300 -0.018 0.000 2.181 385 Y HA -0.219 4.331 4.550 -0.000 0.000 0.288 385 Y C 1.980 178.029 175.900 0.249 0.000 1.146 385 Y CA 0.889 59.052 58.100 0.105 0.000 1.164 385 Y CB -0.528 37.956 38.460 0.041 0.000 0.982 385 Y HN 0.110 nan 8.280 nan 0.000 0.515 386 L N 0.574 121.924 121.223 0.211 0.000 1.989 386 L HA -0.238 4.102 4.340 -0.000 0.000 0.211 386 L C 2.192 178.992 176.870 -0.117 0.000 1.071 386 L CA 2.083 56.870 54.840 -0.089 0.000 0.749 386 L CB -0.981 40.994 42.059 -0.140 0.000 0.890 386 L HN 0.194 nan 8.230 nan 0.000 0.431 387 Q N -0.585 119.192 119.800 -0.038 0.000 2.083 387 Q HA -0.082 4.258 4.340 -0.000 0.000 0.198 387 Q C 2.454 178.461 176.000 0.011 0.000 0.969 387 Q CA 1.681 57.470 55.803 -0.024 0.000 0.838 387 Q CB -0.759 27.958 28.738 -0.034 0.000 0.900 387 Q HN 0.765 nan 8.270 nan 0.000 0.436 388 S N 0.472 116.199 115.700 0.047 0.000 2.423 388 S HA -0.079 4.391 4.470 -0.000 0.000 0.231 388 S C 1.769 176.419 174.600 0.084 0.000 1.014 388 S CA 1.430 59.665 58.200 0.059 0.000 0.965 388 S CB -0.467 62.778 63.200 0.075 0.000 0.785 388 S HN 0.433 nan 8.310 nan 0.000 0.495 389 T N -1.713 112.904 114.554 0.106 0.000 3.214 389 T HA 0.273 4.622 4.350 -0.000 0.000 0.264 389 T C 0.068 174.726 174.700 -0.071 0.000 1.012 389 T CA -0.652 61.493 62.100 0.074 0.000 0.901 389 T CB -0.891 68.112 68.868 0.225 0.000 1.070 389 T HN 0.616 nan 8.240 nan 0.000 0.561 390 H N 1.662 120.631 119.070 -0.168 0.000 2.899 390 H HA 0.552 5.108 4.556 -0.000 0.000 0.303 390 H C 0.584 175.778 175.328 -0.223 0.000 1.042 390 H CA -0.480 55.434 56.048 -0.224 0.000 1.479 390 H CB 0.391 30.017 29.762 -0.227 0.000 1.493 390 H HN 0.526 nan 8.280 nan 0.000 0.534 391 A N 6.459 129.253 122.820 -0.043 0.000 2.351 391 A HA 0.166 4.486 4.320 -0.000 0.000 0.257 391 A C -1.426 176.082 177.584 -0.126 0.000 1.087 391 A CA -1.261 50.605 52.037 -0.284 0.000 0.798 391 A CB 0.270 18.687 19.000 -0.971 0.000 1.033 391 A HN 0.772 nan 8.150 nan 0.000 0.488 392 P HA -0.084 nan 4.420 nan 0.000 0.225 392 P C 1.150 178.417 177.300 -0.056 0.000 1.156 392 P CA 1.735 64.803 63.100 -0.054 0.000 0.787 392 P CB -0.200 31.498 31.700 -0.004 0.000 0.802 393 T N -4.630 109.881 114.554 -0.072 0.000 3.148 393 T HA -0.021 4.329 4.350 -0.000 0.000 0.253 393 T C 0.759 175.452 174.700 -0.013 0.000 1.134 393 T CA 0.417 62.487 62.100 -0.050 0.000 1.051 393 T CB -1.206 67.663 68.868 0.001 0.000 0.959 393 T HN 0.321 nan 8.240 nan 0.000 0.525 394 H N 1.470 120.550 119.070 0.016 0.000 2.452 394 H HA 0.395 4.951 4.556 -0.000 0.000 0.240 394 H C 1.145 176.381 175.328 -0.154 0.000 1.498 394 H CA -0.382 55.635 56.048 -0.050 0.000 1.142 394 H CB 0.319 30.015 29.762 -0.109 0.000 1.599 394 H HN 0.404 nan 8.280 nan 0.000 0.527 395 S N -0.476 115.207 115.700 -0.029 0.000 2.605 395 S HA -0.116 4.354 4.470 -0.000 0.000 0.217 395 S C 1.415 175.962 174.600 -0.088 0.000 0.958 395 S CA -0.079 58.042 58.200 -0.131 0.000 0.919 395 S CB 0.107 63.254 63.200 -0.087 0.000 0.780 395 S HN 0.567 nan 8.310 nan 0.000 0.507 396 D N 0.874 121.276 120.400 0.003 0.000 2.371 396 D HA -0.028 4.612 4.640 -0.000 0.000 0.221 396 D C 0.478 176.907 176.300 0.215 0.000 0.986 396 D CA 0.283 54.381 54.000 0.163 0.000 0.899 396 D CB -0.459 40.523 40.800 0.302 0.000 0.902 396 D HN 0.747 nan 8.370 nan 0.000 0.530 397 Y N -1.478 118.816 120.300 -0.010 0.000 2.638 397 Y HA 0.525 5.074 4.550 -0.000 0.000 0.335 397 Y C -0.360 175.478 175.900 -0.103 0.000 1.155 397 Y CA -1.352 56.626 58.100 -0.205 0.000 1.046 397 Y CB 0.820 38.920 38.460 -0.601 0.000 1.303 397 Y HN -0.121 nan 8.280 nan 0.000 0.460 398 T N -0.303 114.238 114.554 -0.023 0.000 2.948 398 T HA 0.750 5.100 4.350 -0.000 0.000 0.285 398 T C -0.580 174.153 174.700 0.055 0.000 1.019 398 T CA -0.987 61.088 62.100 -0.040 0.000 1.013 398 T CB 1.551 70.346 68.868 -0.121 0.000 1.117 398 T HN 0.755 nan 8.240 nan 0.000 0.533 399 M N 1.374 120.961 119.600 -0.020 0.000 2.383 399 M HA 0.421 4.901 4.480 -0.000 0.000 0.325 399 M C -0.864 175.340 176.300 -0.161 0.000 1.092 399 M CA -0.633 54.540 55.300 -0.212 0.000 0.961 399 M CB 2.601 35.003 32.600 -0.330 0.000 1.672 399 M HN 0.690 nan 8.290 nan 0.000 0.438 400 T N 3.199 117.656 114.554 -0.161 0.000 2.786 400 T HA 0.410 4.760 4.350 -0.000 0.000 0.283 400 T C -0.807 173.835 174.700 -0.097 0.000 0.992 400 T CA -0.569 61.476 62.100 -0.092 0.000 0.954 400 T CB 1.185 70.030 68.868 -0.038 0.000 0.934 400 T HN 0.415 nan 8.240 nan 0.000 0.440 401 L N 5.276 126.444 121.223 -0.091 0.000 2.407 401 L HA 0.300 4.640 4.340 -0.000 0.000 0.282 401 L C 0.807 177.699 176.870 0.035 0.000 1.110 401 L CA 0.157 54.943 54.840 -0.090 0.000 0.863 401 L CB -0.400 41.520 42.059 -0.231 0.000 1.207 401 L HN 0.726 nan 8.230 nan 0.000 0.454 402 L N 2.743 124.003 121.223 0.062 0.000 2.162 402 L HA 0.208 4.548 4.340 -0.000 0.000 0.205 402 L C 0.309 177.316 176.870 0.228 0.000 1.086 402 L CA 0.544 55.470 54.840 0.143 0.000 0.778 402 L CB -0.107 42.023 42.059 0.118 0.000 0.928 402 L HN 0.617 nan 8.230 nan 0.000 0.446 403 D N -1.666 118.832 120.400 0.164 0.000 2.653 403 D HA 0.508 5.148 4.640 -0.000 0.000 0.258 403 D C -1.878 174.432 176.300 0.016 0.000 1.252 403 D CA -0.447 53.646 54.000 0.155 0.000 0.777 403 D CB 2.480 43.346 40.800 0.111 0.000 1.339 403 D HN -0.260 nan 8.370 nan 0.000 0.422 404 L N 1.711 122.830 121.223 -0.173 0.000 2.464 404 L HA 0.680 5.020 4.340 -0.000 0.000 0.266 404 L C -1.827 174.849 176.870 -0.324 0.000 0.965 404 L CA -0.339 54.433 54.840 -0.114 0.000 0.833 404 L CB 1.392 43.438 42.059 -0.020 0.000 1.296 404 L HN 0.314 nan 8.230 nan 0.000 0.405 405 F N 2.414 122.451 119.950 0.144 0.000 2.540 405 F HA 0.482 5.008 4.527 -0.000 0.000 0.317 405 F C 0.188 176.091 175.800 0.172 0.000 1.104 405 F CA -0.639 57.443 58.000 0.137 0.000 0.913 405 F CB 1.878 40.929 39.000 0.085 0.000 1.170 405 F HN 0.485 nan 8.300 nan 0.000 0.450 406 E N 2.261 122.637 120.200 0.294 0.000 2.338 406 E HA 0.417 4.767 4.350 -0.000 0.000 0.272 406 E C -1.393 175.257 176.600 0.084 0.000 1.029 406 E CA -0.321 56.154 56.400 0.126 0.000 0.872 406 E CB 1.106 30.853 29.700 0.079 0.000 1.015 406 E HN 0.455 nan 8.360 nan 0.000 0.417 407 V N 4.557 124.445 119.914 -0.043 0.000 2.417 407 V HA 0.281 4.401 4.120 -0.000 0.000 0.291 407 V C -0.295 175.761 176.094 -0.064 0.000 1.024 407 V CA -0.518 61.773 62.300 -0.016 0.000 0.861 407 V CB 1.436 33.252 31.823 -0.013 0.000 0.985 407 V HN 0.773 nan 8.190 nan 0.000 0.436 408 E N 3.426 123.613 120.200 -0.022 0.000 2.518 408 E HA 0.345 4.695 4.350 -0.000 0.000 0.240 408 E C -0.711 175.879 176.600 -0.018 0.000 0.996 408 E CA -0.816 55.562 56.400 -0.037 0.000 0.768 408 E CB 0.970 30.655 29.700 -0.025 0.000 1.329 408 E HN 0.564 nan 8.360 nan 0.000 0.408 409 K N 3.195 123.583 120.400 -0.021 0.000 2.339 409 K HA 0.107 4.427 4.320 -0.000 0.000 0.286 409 K C -0.864 175.732 176.600 -0.006 0.000 1.050 409 K CA -0.334 55.951 56.287 -0.003 0.000 0.956 409 K CB 0.463 32.968 32.500 0.009 0.000 0.990 409 K HN 0.278 nan 8.250 nan 0.000 0.475 410 D N 3.750 124.152 120.400 0.003 0.000 2.581 410 D HA 0.127 4.767 4.640 -0.000 0.000 0.238 410 D C 1.180 177.472 176.300 -0.013 0.000 1.145 410 D CA 1.896 55.894 54.000 -0.003 0.000 0.866 410 D CB 0.320 41.122 40.800 0.004 0.000 1.151 410 D HN 0.767 nan 8.370 nan 0.000 0.500 411 G N 2.730 111.522 108.800 -0.012 0.000 2.254 411 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.225 411 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.225 411 G C 1.062 175.967 174.900 0.008 0.000 1.003 411 G CA 0.163 45.258 45.100 -0.009 0.000 0.622 411 G HN 0.512 nan 8.290 nan 0.000 0.507 412 E N 0.424 120.627 120.200 0.004 0.000 2.107 412 E HA -0.034 4.316 4.350 -0.000 0.000 0.191 412 E C 2.258 178.875 176.600 0.028 0.000 0.982 412 E CA 1.166 57.577 56.400 0.018 0.000 0.809 412 E CB -0.074 29.618 29.700 -0.014 0.000 0.756 412 E HN 0.562 nan 8.360 nan 0.000 0.459 413 K N 1.192 121.587 120.400 -0.008 0.000 2.057 413 K HA -0.210 4.110 4.320 -0.000 0.000 0.207 413 K C 1.690 178.326 176.600 0.060 0.000 1.049 413 K CA 1.531 57.814 56.287 -0.006 0.000 0.931 413 K CB 0.154 32.637 32.500 -0.028 0.000 0.714 413 K HN -0.078 nan 8.250 nan 0.000 0.440 414 E N 0.128 120.354 120.200 0.044 0.000 2.107 414 E HA -0.046 4.304 4.350 -0.000 0.000 0.191 414 E C 1.719 178.356 176.600 0.062 0.000 0.982 414 E CA 1.145 57.572 56.400 0.045 0.000 0.809 414 E CB -0.073 29.640 29.700 0.022 0.000 0.756 414 E HN 0.434 nan 8.360 nan 0.000 0.459 415 A N 0.423 123.287 122.820 0.073 0.000 2.066 415 A HA -0.007 4.313 4.320 -0.000 0.000 0.218 415 A C 0.773 178.419 177.584 0.103 0.000 1.157 415 A CA -0.080 51.999 52.037 0.070 0.000 0.670 415 A CB -0.545 18.492 19.000 0.061 0.000 0.804 415 A HN 0.295 nan 8.150 nan 0.000 0.453 416 F N 1.351 121.287 119.950 -0.023 0.000 2.563 416 F HA 0.202 4.729 4.527 -0.000 0.000 0.363 416 F C 0.682 176.462 175.800 -0.033 0.000 1.123 416 F CA -0.640 57.341 58.000 -0.031 0.000 1.307 416 F CB 0.667 39.642 39.000 -0.040 0.000 1.115 416 F HN -0.011 nan 8.300 nan 0.000 0.592 417 R N 5.693 125.718 120.500 -0.792 0.000 3.688 417 R HA -0.014 4.325 4.340 -0.000 0.000 0.194 417 R C 0.974 176.813 176.300 -0.768 0.000 1.677 417 R CA 0.234 55.943 56.100 -0.652 0.000 1.351 417 R CB -0.522 29.466 30.300 -0.520 0.000 1.338 417 R HN 0.862 nan 8.270 nan 0.000 0.731 418 E N 0.959 120.938 120.200 -0.369 0.000 2.204 418 E HA -0.198 4.152 4.350 -0.000 0.000 0.195 418 E C 1.184 177.725 176.600 -0.098 0.000 0.990 418 E CA 1.409 57.753 56.400 -0.093 0.000 0.821 418 E CB 0.240 29.977 29.700 0.062 0.000 0.750 418 E HN 0.542 nan 8.360 nan 0.000 0.477 419 D N 0.697 121.021 120.400 -0.126 0.000 2.219 419 D HA -0.153 4.487 4.640 -0.000 0.000 0.205 419 D C 0.842 177.090 176.300 -0.087 0.000 0.970 419 D CA 0.500 54.450 54.000 -0.083 0.000 0.851 419 D CB -0.234 40.520 40.800 -0.076 0.000 0.943 419 D HN 0.156 nan 8.370 nan 0.000 0.488 420 L N 2.258 123.371 121.223 -0.183 0.000 2.426 420 L HA 0.109 4.449 4.340 -0.000 0.000 0.271 420 L C 1.261 178.064 176.870 -0.112 0.000 1.169 420 L CA -0.625 54.087 54.840 -0.213 0.000 0.836 420 L CB 0.669 42.480 42.059 -0.414 0.000 1.112 420 L HN 0.216 nan 8.230 nan 0.000 0.465 421 H N 2.228 121.212 119.070 -0.142 0.000 2.509 421 H HA 0.113 4.669 4.556 -0.000 0.000 0.360 421 H C 0.315 175.607 175.328 -0.059 0.000 1.398 421 H CA -0.784 55.220 56.048 -0.074 0.000 1.429 421 H CB 0.304 30.040 29.762 -0.043 0.000 1.611 421 H HN 0.658 nan 8.280 nan 0.000 0.606 422 N N -0.406 118.290 118.700 -0.007 0.000 2.756 422 N HA -0.217 4.523 4.740 -0.000 0.000 0.248 422 N C -0.657 174.797 175.510 -0.093 0.000 1.062 422 N CA 0.516 53.535 53.050 -0.051 0.000 0.696 422 N CB -0.932 37.492 38.487 -0.104 0.000 0.946 422 N HN 0.765 nan 8.380 nan 0.000 0.548 423 R N 0.959 121.423 120.500 -0.061 0.000 2.216 423 R HA 0.377 4.717 4.340 -0.000 0.000 0.332 423 R C -0.113 176.129 176.300 -0.098 0.000 1.056 423 R CA -0.023 56.043 56.100 -0.056 0.000 0.901 423 R CB 0.359 30.672 30.300 0.021 0.000 1.039 423 R HN 0.287 nan 8.270 nan 0.000 0.456 424 M N 4.526 124.022 119.600 -0.174 0.000 2.602 424 M HA 0.304 4.784 4.480 -0.000 0.000 0.312 424 M C -1.065 175.067 176.300 -0.280 0.000 1.181 424 M CA -1.276 53.872 55.300 -0.253 0.000 0.910 424 M CB 2.157 34.549 32.600 -0.347 0.000 1.723 424 M HN 0.390 nan 8.290 nan 0.000 0.459 425 L N 3.724 124.778 121.223 -0.283 0.000 2.255 425 L HA 0.584 4.924 4.340 -0.000 0.000 0.289 425 L C -1.473 175.246 176.870 -0.251 0.000 1.046 425 L CA 0.161 54.850 54.840 -0.251 0.000 0.816 425 L CB 0.216 42.155 42.059 -0.201 0.000 1.197 425 L HN 0.572 nan 8.230 nan 0.000 0.427 426 L N 3.430 124.478 121.223 -0.292 0.000 2.309 426 L HA 0.541 4.881 4.340 -0.000 0.000 0.261 426 L C -1.029 175.786 176.870 -0.092 0.000 1.021 426 L CA -0.801 53.904 54.840 -0.224 0.000 0.823 426 L CB 1.695 43.624 42.059 -0.216 0.000 1.366 426 L HN 0.497 nan 8.230 nan 0.000 0.423 427 W N -0.544 120.898 121.300 0.237 0.000 2.313 427 W HA 0.488 5.148 4.660 -0.000 0.000 0.328 427 W C -0.173 176.613 176.519 0.444 0.000 1.197 427 W CA 0.080 57.567 57.345 0.237 0.000 1.235 427 W CB 0.717 30.220 29.460 0.071 0.000 1.158 427 W HN 0.380 nan 8.180 nan 0.000 0.578 428 H N 0.215 119.624 119.070 0.565 0.000 2.966 428 H HA 0.499 5.055 4.556 -0.000 0.000 0.347 428 H C -0.220 175.363 175.328 0.426 0.000 1.048 428 H CA -0.492 55.784 56.048 0.380 0.000 1.295 428 H CB 1.016 30.926 29.762 0.246 0.000 1.744 428 H HN 0.545 nan 8.280 nan 0.000 0.513 429 G N 2.113 110.935 108.800 0.036 0.000 2.441 429 G HA2 0.544 4.504 3.960 -0.000 0.000 0.334 429 G HA3 0.544 4.504 3.960 -0.000 0.000 0.334 429 G C -1.150 173.742 174.900 -0.014 0.000 1.161 429 G CA -0.481 44.740 45.100 0.201 0.000 0.935 429 G HN 0.607 nan 8.290 nan 0.000 0.488 430 S N -0.919 114.866 115.700 0.142 0.000 2.587 430 S HA 0.490 4.960 4.470 -0.000 0.000 0.269 430 S C -0.243 174.340 174.600 -0.027 0.000 1.154 430 S CA -0.815 57.308 58.200 -0.128 0.000 0.824 430 S CB 1.173 64.044 63.200 -0.550 0.000 1.118 430 S HN 0.692 nan 8.310 nan 0.000 0.462 431 R N 1.543 122.024 120.500 -0.031 0.000 2.784 431 R HA 0.185 4.525 4.340 -0.000 0.000 0.266 431 R C 1.320 177.599 176.300 -0.035 0.000 1.044 431 R CA -0.326 55.797 56.100 0.037 0.000 1.151 431 R CB 0.112 30.414 30.300 0.003 0.000 1.037 431 R HN 0.589 nan 8.270 nan 0.000 0.478 432 M N 1.122 120.797 119.600 0.126 0.000 2.358 432 M HA -0.123 4.357 4.480 -0.000 0.000 0.264 432 M C 1.858 178.237 176.300 0.132 0.000 1.064 432 M CA 1.615 57.068 55.300 0.255 0.000 1.093 432 M CB -0.864 31.863 32.600 0.210 0.000 1.401 432 M HN 0.666 nan 8.290 nan 0.000 0.440 433 S N -0.223 115.474 115.700 -0.005 0.000 2.515 433 S HA -0.019 4.451 4.470 -0.000 0.000 0.231 433 S C 1.246 175.790 174.600 -0.093 0.000 0.987 433 S CA 0.683 58.858 58.200 -0.041 0.000 0.936 433 S CB -0.337 62.815 63.200 -0.079 0.000 0.766 433 S HN 0.422 nan 8.310 nan 0.000 0.528 434 N N -0.005 118.560 118.700 -0.225 0.000 2.254 434 N HA 0.216 4.956 4.740 -0.000 0.000 0.190 434 N C 0.551 175.884 175.510 -0.295 0.000 1.107 434 N CA 0.163 53.028 53.050 -0.308 0.000 0.869 434 N CB -0.313 37.925 38.487 -0.415 0.000 0.983 434 N HN 0.598 nan 8.380 nan 0.000 0.487 435 W N 0.492 121.820 121.300 0.047 0.000 2.436 435 W HA 0.022 4.682 4.660 -0.000 0.000 0.284 435 W C 1.918 178.464 176.519 0.044 0.000 1.225 435 W CA 0.099 57.478 57.345 0.056 0.000 1.271 435 W CB -0.286 29.208 29.460 0.057 0.000 1.114 435 W HN -0.176 nan 8.180 nan 0.000 0.559 436 V N 0.695 120.735 119.914 0.210 0.000 2.343 436 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 436 V C 2.429 178.591 176.094 0.113 0.000 1.051 436 V CA 2.144 64.526 62.300 0.137 0.000 1.036 436 V CB -1.500 30.367 31.823 0.074 0.000 0.654 436 V HN 0.356 nan 8.190 nan 0.000 0.451 437 G N -0.081 108.746 108.800 0.045 0.000 2.446 437 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.217 437 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.217 437 G C 1.577 176.513 174.900 0.061 0.000 1.168 437 G CA 1.201 46.297 45.100 -0.007 0.000 0.771 437 G HN 0.491 nan 8.290 nan 0.000 0.551 438 I N 0.288 120.896 120.570 0.064 0.000 2.226 438 I HA -0.103 4.067 4.170 -0.000 0.000 0.245 438 I C 2.660 178.887 176.117 0.184 0.000 1.100 438 I CA 0.688 62.054 61.300 0.111 0.000 1.374 438 I CB -0.150 37.913 38.000 0.105 0.000 1.057 438 I HN 0.129 nan 8.210 nan 0.000 0.413 439 L N 0.087 121.441 121.223 0.217 0.000 2.156 439 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 439 L C 2.740 179.694 176.870 0.139 0.000 1.095 439 L CA 1.385 56.330 54.840 0.176 0.000 0.770 439 L CB -0.519 41.641 42.059 0.169 0.000 0.914 439 L HN 0.340 nan 8.230 nan 0.000 0.439 440 S N -1.676 114.130 115.700 0.177 0.000 2.395 440 S HA -0.132 4.337 4.470 -0.000 0.000 0.225 440 S C 1.586 176.274 174.600 0.145 0.000 1.027 440 S CA 0.702 59.012 58.200 0.183 0.000 0.965 440 S CB -0.300 63.048 63.200 0.247 0.000 0.812 440 S HN 0.449 nan 8.310 nan 0.000 0.482 441 H N 1.212 120.313 119.070 0.053 0.000 2.827 441 H HA 0.515 5.071 4.556 -0.000 0.000 0.269 441 H C 1.230 176.577 175.328 0.032 0.000 1.031 441 H CA 0.144 56.215 56.048 0.037 0.000 1.202 441 H CB 0.542 30.321 29.762 0.028 0.000 1.511 441 H HN 0.662 nan 8.280 nan 0.000 0.517 442 G N 0.489 109.377 108.800 0.147 0.000 2.814 442 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.677 442 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.677 442 G C -0.483 174.462 174.900 0.076 0.000 1.429 442 G CA -0.534 44.626 45.100 0.100 0.000 0.868 442 G HN 0.243 nan 8.290 nan 0.000 0.553 443 L N 0.389 121.634 121.223 0.037 0.000 2.490 443 L HA 0.396 4.736 4.340 -0.000 0.000 0.274 443 L C 1.276 178.141 176.870 -0.008 0.000 1.201 443 L CA 0.275 55.089 54.840 -0.044 0.000 0.869 443 L CB 0.374 42.361 42.059 -0.120 0.000 1.123 443 L HN 0.603 nan 8.230 nan 0.000 0.484 444 R N 2.916 123.402 120.500 -0.024 0.000 2.740 444 R HA 0.541 4.881 4.340 -0.000 0.000 0.282 444 R C -0.378 175.911 176.300 -0.018 0.000 0.969 444 R CA -0.869 55.230 56.100 -0.003 0.000 0.918 444 R CB 2.139 32.445 30.300 0.010 0.000 1.175 444 R HN 0.562 nan 8.270 nan 0.000 0.464 445 I N -0.092 120.467 120.570 -0.018 0.000 3.060 445 I HA 0.376 4.545 4.170 -0.000 0.000 0.285 445 I C 0.431 176.501 176.117 -0.078 0.000 1.190 445 I CA -0.490 60.786 61.300 -0.039 0.000 1.363 445 I CB 0.634 38.622 38.000 -0.020 0.000 1.396 445 I HN 0.610 nan 8.210 nan 0.000 0.607 446 A N 3.174 125.888 122.820 -0.176 0.000 2.520 446 A HA -0.002 4.318 4.320 -0.000 0.000 0.235 446 A C 0.418 177.905 177.584 -0.161 0.000 1.065 446 A CA -0.095 51.808 52.037 -0.223 0.000 0.764 446 A CB -0.288 18.287 19.000 -0.709 0.000 1.002 446 A HN 0.908 nan 8.150 nan 0.000 0.502 447 H N 3.257 122.184 119.070 -0.238 0.000 3.115 447 H HA -0.019 4.537 4.556 -0.000 0.000 0.324 447 H C -1.257 173.888 175.328 -0.305 0.000 1.007 447 H CA -0.280 55.583 56.048 -0.309 0.000 1.385 447 H CB 0.881 30.254 29.762 -0.648 0.000 1.351 447 H HN 0.392 nan 8.280 nan 0.000 0.592 448 P HA -0.139 nan 4.420 nan 0.000 0.218 448 P C 0.722 178.021 177.300 -0.002 0.000 1.148 448 P CA 1.208 64.226 63.100 -0.137 0.000 0.822 448 P CB 0.419 32.014 31.700 -0.174 0.000 0.784 449 E N -0.505 119.810 120.200 0.192 0.000 2.489 449 E HA 0.215 4.564 4.350 -0.000 0.000 0.193 449 E C 0.803 177.363 176.600 -0.068 0.000 1.057 449 E CA -0.158 56.292 56.400 0.083 0.000 0.866 449 E CB -0.560 29.235 29.700 0.158 0.000 0.916 449 E HN 0.207 nan 8.360 nan 0.000 0.500 450 A N 1.909 124.572 122.820 -0.262 0.000 2.462 450 A HA 0.280 4.600 4.320 -0.000 0.000 0.243 450 A C -2.239 175.384 177.584 0.065 0.000 1.076 450 A CA -1.176 50.773 52.037 -0.146 0.000 0.773 450 A CB -0.130 18.809 19.000 -0.102 0.000 1.010 450 A HN -0.071 nan 8.150 nan 0.000 0.493 451 P HA 0.021 nan 4.420 nan 0.000 0.263 451 P C 0.784 178.185 177.300 0.170 0.000 1.195 451 P CA 0.133 63.290 63.100 0.095 0.000 0.762 451 P CB 0.398 32.125 31.700 0.046 0.000 0.799 452 I N 3.391 124.041 120.570 0.134 0.000 2.567 452 I HA -0.211 3.958 4.170 -0.000 0.000 0.257 452 I C 1.682 177.917 176.117 0.197 0.000 1.184 452 I CA 1.626 63.039 61.300 0.189 0.000 1.451 452 I CB -0.090 37.976 38.000 0.109 0.000 1.089 452 I HN 0.363 nan 8.210 nan 0.000 0.441 453 T N -2.582 112.028 114.554 0.092 0.000 3.113 453 T HA 0.013 4.363 4.350 -0.000 0.000 0.263 453 T C 1.751 176.426 174.700 -0.040 0.000 1.143 453 T CA 0.607 62.724 62.100 0.028 0.000 1.090 453 T CB -0.706 68.159 68.868 -0.003 0.000 0.922 453 T HN 0.423 nan 8.240 nan 0.000 0.521 454 G N -0.253 108.496 108.800 -0.085 0.000 2.679 454 G HA2 0.146 4.106 3.960 -0.000 0.000 0.212 454 G HA3 0.146 4.106 3.960 -0.000 0.000 0.212 454 G C -0.302 174.164 174.900 -0.723 0.000 1.137 454 G CA -0.114 44.733 45.100 -0.421 0.000 0.787 454 G HN 0.613 nan 8.290 nan 0.000 0.534 455 Y N -0.986 119.302 120.300 -0.020 0.000 2.349 455 Y HA 0.360 4.910 4.550 -0.000 0.000 0.324 455 Y C 1.017 176.937 175.900 0.033 0.000 1.005 455 Y CA -0.955 57.145 58.100 -0.000 0.000 1.240 455 Y CB 1.724 40.248 38.460 0.107 0.000 1.117 455 Y HN -0.024 nan 8.280 nan 0.000 0.463 456 M N 1.709 121.333 119.600 0.039 0.000 2.143 456 M HA -0.190 4.290 4.480 -0.000 0.000 0.258 456 M C -0.221 175.843 176.300 -0.393 0.000 1.071 456 M CA 2.325 57.485 55.300 -0.233 0.000 1.088 456 M CB 0.052 32.441 32.600 -0.352 0.000 1.360 456 M HN 0.664 nan 8.290 nan 0.000 0.404 457 F N 0.406 120.611 119.950 0.425 0.000 2.814 457 F HA 0.488 5.015 4.527 -0.000 0.000 0.326 457 F C 0.831 176.866 175.800 0.391 0.000 1.159 457 F CA 0.189 58.386 58.000 0.329 0.000 1.234 457 F CB 0.080 39.214 39.000 0.223 0.000 1.016 457 F HN 0.335 nan 8.300 nan 0.000 0.510 458 G N 1.052 110.155 108.800 0.505 0.000 2.725 458 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.220 458 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.220 458 G C -0.258 174.880 174.900 0.397 0.000 1.357 458 G CA -1.011 44.330 45.100 0.402 0.000 0.866 458 G HN 0.185 nan 8.290 nan 0.000 0.548 459 K N 1.301 121.827 120.400 0.210 0.000 2.222 459 K HA 0.487 4.807 4.320 -0.000 0.000 0.243 459 K C 0.776 177.456 176.600 0.133 0.000 1.160 459 K CA 0.421 56.673 56.287 -0.059 0.000 1.090 459 K CB 0.538 32.932 32.500 -0.176 0.000 1.694 459 K HN 0.877 nan 8.250 nan 0.000 0.361 460 G N 1.164 110.026 108.800 0.103 0.000 3.108 460 G HA2 0.599 4.559 3.960 -0.000 0.000 0.268 460 G HA3 0.599 4.559 3.960 -0.000 0.000 0.268 460 G C -0.767 174.101 174.900 -0.054 0.000 1.361 460 G CA -0.837 44.148 45.100 -0.192 0.000 1.047 460 G HN 0.284 nan 8.290 nan 0.000 0.540 461 I N 0.297 120.775 120.570 -0.153 0.000 2.336 461 I HA 0.311 4.480 4.170 -0.000 0.000 0.292 461 I C -1.095 174.894 176.117 -0.213 0.000 0.991 461 I CA -0.515 60.726 61.300 -0.099 0.000 1.227 461 I CB 1.404 39.346 38.000 -0.097 0.000 1.366 461 I HN 0.319 nan 8.210 nan 0.000 0.466 462 Y N 5.586 125.705 120.300 -0.301 0.000 2.342 462 Y HA 0.578 5.128 4.550 -0.000 0.000 0.334 462 Y C -0.488 175.221 175.900 -0.319 0.000 1.067 462 Y CA -0.409 57.604 58.100 -0.146 0.000 1.128 462 Y CB 1.344 39.786 38.460 -0.031 0.000 1.200 462 Y HN 0.327 nan 8.280 nan 0.000 0.464 463 F N 1.128 121.298 119.950 0.366 0.000 2.588 463 F HA 0.748 5.275 4.527 -0.000 0.000 0.310 463 F C -0.251 175.810 175.800 0.437 0.000 1.082 463 F CA -1.064 57.156 58.000 0.367 0.000 0.929 463 F CB 1.720 40.862 39.000 0.237 0.000 1.254 463 F HN 0.456 nan 8.300 nan 0.000 0.455 464 A N 0.559 123.751 122.820 0.620 0.000 2.337 464 A HA 0.590 4.909 4.320 -0.000 0.000 0.331 464 A C -0.226 177.724 177.584 0.611 0.000 1.137 464 A CA -0.553 51.829 52.037 0.574 0.000 0.807 464 A CB 0.782 20.037 19.000 0.426 0.000 1.250 464 A HN 0.784 nan 8.150 nan 0.000 0.468 465 D N 0.413 121.168 120.400 0.592 0.000 2.349 465 D HA 0.088 4.728 4.640 -0.000 0.000 0.214 465 D C -0.018 176.603 176.300 0.536 0.000 1.063 465 D CA 0.353 54.679 54.000 0.544 0.000 0.847 465 D CB 0.055 41.124 40.800 0.448 0.000 0.933 465 D HN 0.237 nan 8.370 nan 0.000 0.513 466 M N 1.280 121.092 119.600 0.354 0.000 2.114 466 M HA 0.231 4.711 4.480 -0.000 0.000 0.332 466 M C 1.183 177.330 176.300 -0.254 0.000 1.014 466 M CA -0.373 54.958 55.300 0.051 0.000 0.956 466 M CB 1.691 34.206 32.600 -0.141 0.000 1.551 466 M HN 0.029 nan 8.290 nan 0.000 0.427 467 S N 2.149 117.416 115.700 -0.721 0.000 2.374 467 S HA -0.176 4.294 4.470 -0.000 0.000 0.227 467 S C 1.721 175.820 174.600 -0.835 0.000 1.037 467 S CA 2.049 59.323 58.200 -1.543 0.000 1.024 467 S CB -0.496 61.793 63.200 -1.518 0.000 0.861 467 S HN 0.776 nan 8.310 nan 0.000 0.456 468 S N 1.788 117.137 115.700 -0.585 0.000 2.428 468 S HA 0.021 4.491 4.470 -0.000 0.000 0.230 468 S C 1.831 176.268 174.600 -0.272 0.000 1.014 468 S CA 0.910 58.846 58.200 -0.440 0.000 0.957 468 S CB -0.504 62.355 63.200 -0.568 0.000 0.784 468 S HN 0.654 nan 8.310 nan 0.000 0.499 469 K N 1.386 121.703 120.400 -0.139 0.000 2.032 469 K HA -0.071 4.249 4.320 -0.000 0.000 0.209 469 K C 2.201 178.805 176.600 0.007 0.000 1.048 469 K CA 1.696 57.970 56.287 -0.022 0.000 0.927 469 K CB -0.397 32.214 32.500 0.185 0.000 0.712 469 K HN 0.400 nan 8.250 nan 0.000 0.441 470 S N 0.320 116.042 115.700 0.038 0.000 2.383 470 S HA -0.083 4.387 4.470 -0.000 0.000 0.227 470 S C 1.970 176.588 174.600 0.029 0.000 1.026 470 S CA 1.025 59.301 58.200 0.126 0.000 0.981 470 S CB -0.175 63.129 63.200 0.174 0.000 0.818 470 S HN 0.521 nan 8.310 nan 0.000 0.472 471 A N 2.426 125.185 122.820 -0.101 0.000 2.019 471 A HA -0.117 4.203 4.320 -0.000 0.000 0.219 471 A C 1.829 179.355 177.584 -0.097 0.000 1.164 471 A CA 1.239 53.272 52.037 -0.006 0.000 0.644 471 A CB -0.559 18.429 19.000 -0.021 0.000 0.805 471 A HN 0.409 nan 8.150 nan 0.000 0.449 472 N N -0.723 117.806 118.700 -0.284 0.000 2.149 472 N HA -0.165 4.574 4.740 -0.000 0.000 0.188 472 N C 1.014 175.962 175.510 -0.937 0.000 1.019 472 N CA 1.394 54.101 53.050 -0.572 0.000 0.857 472 N CB -0.576 37.492 38.487 -0.698 0.000 0.997 472 N HN 0.643 nan 8.380 nan 0.000 0.426 473 Y N 0.134 120.133 120.300 -0.502 0.000 2.632 473 Y HA -0.001 4.549 4.550 -0.000 0.000 0.301 473 Y C 2.111 177.851 175.900 -0.266 0.000 1.172 473 Y CA -0.143 57.668 58.100 -0.481 0.000 1.328 473 Y CB -0.518 37.818 38.460 -0.207 0.000 1.016 473 Y HN 0.101 nan 8.280 nan 0.000 0.529 474 C N -1.453 117.761 119.300 -0.145 0.000 2.446 474 C HA -0.081 4.379 4.460 -0.000 0.000 0.279 474 C C 0.938 175.912 174.990 -0.026 0.000 1.366 474 C CA -0.117 58.899 59.018 -0.003 0.000 1.763 474 C CB -1.655 26.088 27.740 0.006 0.000 1.929 474 C HN 0.638 nan 8.230 nan 0.000 0.509 475 F N 0.537 120.376 119.950 -0.186 0.000 3.048 475 F HA -0.227 4.299 4.527 -0.000 0.000 0.269 475 F C 1.089 176.726 175.800 -0.271 0.000 0.960 475 F CA 0.220 58.097 58.000 -0.205 0.000 0.909 475 F CB -1.894 37.031 39.000 -0.124 0.000 0.837 475 F HN 0.339 nan 8.300 nan 0.000 0.768 476 A N 0.305 122.878 122.820 -0.411 0.000 2.386 476 A HA 0.683 5.002 4.320 -0.000 0.000 0.246 476 A C 0.666 178.062 177.584 -0.314 0.000 1.089 476 A CA 0.553 52.306 52.037 -0.474 0.000 0.790 476 A CB 0.542 18.809 19.000 -1.222 0.000 1.042 476 A HN 0.936 nan 8.150 nan 0.000 0.497 477 S N -0.444 115.086 115.700 -0.284 0.000 2.705 477 S HA 0.484 4.954 4.470 -0.000 0.000 0.280 477 S C 0.831 175.082 174.600 -0.581 0.000 1.174 477 S CA -0.225 57.600 58.200 -0.626 0.000 0.823 477 S CB 1.041 64.015 63.200 -0.377 0.000 1.162 477 S HN 0.966 nan 8.310 nan 0.000 0.487 478 R N 0.115 120.132 120.500 -0.805 0.000 2.159 478 R HA -0.019 4.321 4.340 -0.000 0.000 0.237 478 R C 1.383 177.635 176.300 -0.081 0.000 1.131 478 R CA 1.681 57.624 56.100 -0.262 0.000 0.982 478 R CB -1.097 29.078 30.300 -0.209 0.000 0.868 478 R HN 0.660 nan 8.270 nan 0.000 0.453 479 L N 0.434 121.584 121.223 -0.121 0.000 2.162 479 L HA 0.072 4.411 4.340 -0.000 0.000 0.205 479 L C 0.735 177.591 176.870 -0.022 0.000 1.086 479 L CA 0.929 55.736 54.840 -0.055 0.000 0.778 479 L CB -0.046 41.973 42.059 -0.068 0.000 0.928 479 L HN 0.046 nan 8.230 nan 0.000 0.446 480 K N 1.542 121.921 120.400 -0.035 0.000 2.687 480 K HA 0.184 4.504 4.320 -0.000 0.000 0.197 480 K C -0.325 176.291 176.600 0.027 0.000 1.049 480 K CA -0.118 56.170 56.287 0.001 0.000 1.030 480 K CB 0.650 33.140 32.500 -0.017 0.000 1.261 480 K HN 0.064 nan 8.250 nan 0.000 0.565 481 N N -0.041 118.724 118.700 0.108 0.000 2.383 481 N HA -0.026 4.714 4.740 -0.000 0.000 0.192 481 N C -0.440 175.234 175.510 0.274 0.000 1.141 481 N CA -0.054 53.134 53.050 0.230 0.000 0.851 481 N CB 0.449 39.116 38.487 0.301 0.000 0.976 481 N HN 0.003 nan 8.380 nan 0.000 0.465 482 T N 0.029 114.696 114.554 0.189 0.000 2.771 482 T HA 0.707 5.057 4.350 -0.000 0.000 0.281 482 T C 0.106 174.936 174.700 0.216 0.000 0.982 482 T CA -0.536 61.696 62.100 0.220 0.000 0.978 482 T CB 1.504 70.460 68.868 0.147 0.000 0.930 482 T HN 0.377 nan 8.240 nan 0.000 0.447 483 G N 1.968 110.970 108.800 0.336 0.000 2.733 483 G HA2 0.769 4.729 3.960 -0.000 0.000 0.288 483 G HA3 0.769 4.729 3.960 -0.000 0.000 0.288 483 G C -1.653 173.388 174.900 0.235 0.000 1.373 483 G CA -0.801 44.498 45.100 0.332 0.000 0.895 483 G HN 0.659 nan 8.290 nan 0.000 0.479 484 L N -0.322 121.000 121.223 0.164 0.000 2.354 484 L HA 0.666 5.006 4.340 -0.000 0.000 0.269 484 L C -0.716 176.162 176.870 0.014 0.000 1.005 484 L CA -0.829 53.932 54.840 -0.132 0.000 0.819 484 L CB 2.308 43.876 42.059 -0.818 0.000 1.311 484 L HN 0.206 nan 8.230 nan 0.000 0.423 485 L N 2.830 124.041 121.223 -0.019 0.000 2.386 485 L HA 0.531 4.871 4.340 -0.000 0.000 0.271 485 L C -1.146 175.839 176.870 0.192 0.000 0.993 485 L CA -0.677 54.274 54.840 0.185 0.000 0.819 485 L CB 2.597 44.763 42.059 0.178 0.000 1.294 485 L HN 0.367 nan 8.230 nan 0.000 0.414 486 L N 3.966 125.409 121.223 0.367 0.000 2.317 486 L HA 0.598 4.938 4.340 -0.000 0.000 0.281 486 L C -1.124 175.951 176.870 0.341 0.000 1.024 486 L CA -0.027 55.008 54.840 0.325 0.000 0.810 486 L CB 1.507 43.840 42.059 0.457 0.000 1.240 486 L HN 0.419 nan 8.230 nan 0.000 0.427 487 L N 4.227 125.559 121.223 0.182 0.000 2.329 487 L HA 0.667 5.007 4.340 -0.000 0.000 0.279 487 L C -0.369 176.525 176.870 0.041 0.000 1.014 487 L CA -0.286 54.569 54.840 0.024 0.000 0.814 487 L CB 1.845 43.858 42.059 -0.076 0.000 1.257 487 L HN 0.662 nan 8.230 nan 0.000 0.424 488 S N 1.098 116.782 115.700 -0.026 0.000 2.549 488 S HA 0.366 4.835 4.470 -0.000 0.000 0.280 488 S C -1.013 173.449 174.600 -0.230 0.000 1.109 488 S CA -0.917 57.224 58.200 -0.099 0.000 0.905 488 S CB 2.074 65.274 63.200 -0.000 0.000 1.081 488 S HN 0.478 nan 8.310 nan 0.000 0.477 489 E N 1.278 121.319 120.200 -0.264 0.000 2.290 489 E HA 0.367 4.717 4.350 -0.000 0.000 0.277 489 E C -1.043 175.435 176.600 -0.203 0.000 1.035 489 E CA -0.280 55.959 56.400 -0.269 0.000 0.873 489 E CB 0.842 30.316 29.700 -0.377 0.000 1.029 489 E HN 0.223 nan 8.360 nan 0.000 0.419 490 V N 2.568 122.358 119.914 -0.206 0.000 2.407 490 V HA 0.328 4.447 4.120 -0.000 0.000 0.291 490 V C -0.062 175.982 176.094 -0.084 0.000 1.018 490 V CA -0.862 61.296 62.300 -0.237 0.000 0.842 490 V CB 1.513 32.947 31.823 -0.648 0.000 0.996 490 V HN 0.765 nan 8.190 nan 0.000 0.426 491 A N 5.518 128.332 122.820 -0.010 0.000 2.671 491 A HA 0.501 4.821 4.320 -0.000 0.000 0.306 491 A C 0.967 178.443 177.584 -0.180 0.000 1.473 491 A CA -0.129 51.807 52.037 -0.170 0.000 1.155 491 A CB -0.187 18.525 19.000 -0.480 0.000 1.123 491 A HN 0.909 nan 8.150 nan 0.000 0.545 492 L N 2.497 123.620 121.223 -0.166 0.000 2.179 492 L HA 0.123 4.463 4.340 -0.000 0.000 0.208 492 L C 2.039 178.821 176.870 -0.147 0.000 1.096 492 L CA 0.867 55.642 54.840 -0.107 0.000 0.779 492 L CB -0.859 41.161 42.059 -0.065 0.000 0.922 492 L HN 0.941 nan 8.230 nan 0.000 0.443 493 G N 0.024 108.599 108.800 -0.376 0.000 2.596 493 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.295 493 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.295 493 G C -0.101 174.573 174.900 -0.377 0.000 1.240 493 G CA -0.250 44.447 45.100 -0.670 0.000 0.985 493 G HN 0.254 nan 8.290 nan 0.000 0.555 494 Q N 0.312 120.176 119.800 0.108 0.000 2.314 494 Q HA 0.396 4.736 4.340 -0.000 0.000 0.257 494 Q C 0.188 176.262 176.000 0.122 0.000 0.975 494 Q CA -0.068 55.843 55.803 0.181 0.000 0.933 494 Q CB 0.931 29.825 28.738 0.260 0.000 1.195 494 Q HN 0.631 nan 8.270 nan 0.000 0.426 495 C N 2.894 122.244 119.300 0.084 0.000 2.527 495 C HA 0.211 4.671 4.460 -0.000 0.000 0.396 495 C C 1.031 176.042 174.990 0.035 0.000 1.289 495 C CA -0.873 58.183 59.018 0.063 0.000 2.047 495 C CB -0.263 27.516 27.740 0.065 0.000 2.568 495 C HN 0.681 nan 8.230 nan 0.000 0.573 496 N N 2.459 121.168 118.700 0.015 0.000 2.406 496 N HA 0.125 4.865 4.740 -0.000 0.000 0.251 496 N C -0.426 175.061 175.510 -0.038 0.000 1.069 496 N CA 0.189 53.237 53.050 -0.004 0.000 0.947 496 N CB 0.375 38.860 38.487 -0.003 0.000 1.111 496 N HN 0.648 nan 8.380 nan 0.000 0.497 497 E N 3.208 123.390 120.200 -0.030 0.000 2.200 497 E HA 0.297 4.647 4.350 -0.000 0.000 0.283 497 E C -0.433 176.139 176.600 -0.047 0.000 1.015 497 E CA -0.401 55.965 56.400 -0.058 0.000 0.819 497 E CB 1.374 31.059 29.700 -0.025 0.000 1.081 497 E HN 0.456 nan 8.360 nan 0.000 0.397 498 L N 3.283 124.453 121.223 -0.090 0.000 2.341 498 L HA 0.362 4.702 4.340 -0.000 0.000 0.267 498 L C 0.744 177.653 176.870 0.064 0.000 1.009 498 L CA -0.582 54.263 54.840 0.008 0.000 0.819 498 L CB 1.477 43.577 42.059 0.068 0.000 1.323 498 L HN 0.528 nan 8.230 nan 0.000 0.425 499 L N 0.243 121.539 121.223 0.123 0.000 2.425 499 L HA 0.195 4.535 4.340 -0.000 0.000 0.215 499 L C 0.565 177.537 176.870 0.171 0.000 1.065 499 L CA 0.377 55.288 54.840 0.118 0.000 0.842 499 L CB 0.341 42.446 42.059 0.077 0.000 1.033 499 L HN 0.684 nan 8.230 nan 0.000 0.474 500 E N -0.270 120.054 120.200 0.206 0.000 2.433 500 E HA 0.607 4.957 4.350 -0.000 0.000 0.273 500 E C -0.857 175.848 176.600 0.174 0.000 0.950 500 E CA -1.030 55.470 56.400 0.167 0.000 0.796 500 E CB 1.698 31.452 29.700 0.089 0.000 1.330 500 E HN -0.070 nan 8.360 nan 0.000 0.455 501 A N 1.544 124.349 122.820 -0.026 0.000 2.565 501 A HA 0.150 4.470 4.320 -0.000 0.000 0.237 501 A C -0.085 177.441 177.584 -0.096 0.000 1.053 501 A CA 0.334 52.215 52.037 -0.260 0.000 0.755 501 A CB -0.366 18.513 19.000 -0.202 0.000 0.980 501 A HN 0.576 nan 8.150 nan 0.000 0.506 502 N N 2.639 121.264 118.700 -0.125 0.000 2.747 502 N HA 0.288 5.028 4.740 -0.000 0.000 0.262 502 N C -2.706 172.858 175.510 0.090 0.000 1.261 502 N CA -1.434 51.645 53.050 0.048 0.000 0.809 502 N CB 1.562 40.140 38.487 0.151 0.000 1.450 502 N HN 0.066 nan 8.380 nan 0.000 0.560 503 P HA -0.051 nan 4.420 nan 0.000 0.223 503 P C 0.140 177.518 177.300 0.129 0.000 1.144 503 P CA 1.242 64.412 63.100 0.117 0.000 0.783 503 P CB 0.286 32.040 31.700 0.089 0.000 0.771 504 K N -0.973 119.483 120.400 0.095 0.000 2.446 504 K HA 0.289 4.609 4.320 -0.000 0.000 0.203 504 K C 1.649 178.281 176.600 0.054 0.000 1.027 504 K CA 0.037 56.360 56.287 0.060 0.000 1.166 504 K CB -0.030 32.492 32.500 0.037 0.000 0.869 504 K HN -0.005 nan 8.250 nan 0.000 0.504 505 A N 1.696 124.591 122.820 0.126 0.000 1.986 505 A HA -0.255 4.065 4.320 -0.000 0.000 0.220 505 A C 2.075 179.629 177.584 -0.049 0.000 1.171 505 A CA 1.633 53.747 52.037 0.127 0.000 0.640 505 A CB -0.295 18.905 19.000 0.334 0.000 0.811 505 A HN 0.462 nan 8.150 nan 0.000 0.451 506 E N -0.572 119.501 120.200 -0.211 0.000 2.118 506 E HA -0.150 4.200 4.350 -0.000 0.000 0.195 506 E C 1.962 178.378 176.600 -0.306 0.000 0.992 506 E CA 1.012 57.059 56.400 -0.589 0.000 0.804 506 E CB -0.418 28.854 29.700 -0.714 0.000 0.741 506 E HN 0.549 nan 8.360 nan 0.000 0.458 507 G N 0.501 109.205 108.800 -0.161 0.000 2.509 507 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.218 507 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.218 507 G C 1.382 176.236 174.900 -0.075 0.000 1.124 507 G CA 0.294 45.334 45.100 -0.100 0.000 0.776 507 G HN 0.212 nan 8.290 nan 0.000 0.547 508 L N -0.035 121.150 121.223 -0.065 0.000 2.558 508 L HA 0.234 4.574 4.340 -0.000 0.000 0.225 508 L C 2.494 179.334 176.870 -0.051 0.000 1.128 508 L CA -0.217 54.601 54.840 -0.037 0.000 0.868 508 L CB -0.160 41.898 42.059 -0.003 0.000 1.006 508 L HN 0.168 nan 8.230 nan 0.000 0.454 509 L N -0.664 120.508 121.223 -0.086 0.000 2.012 509 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 509 L C 0.840 177.661 176.870 -0.082 0.000 1.073 509 L CA 0.651 55.440 54.840 -0.085 0.000 0.748 509 L CB -0.444 41.546 42.059 -0.115 0.000 0.891 509 L HN 0.371 nan 8.230 nan 0.000 0.431 510 Q N 0.019 119.771 119.800 -0.080 0.000 2.437 510 Q HA -0.277 4.063 4.340 -0.000 0.000 0.354 510 Q C 1.008 176.959 176.000 -0.083 0.000 1.402 510 Q CA 0.934 56.696 55.803 -0.068 0.000 1.020 510 Q CB -1.954 26.756 28.738 -0.047 0.000 1.220 510 Q HN 0.785 nan 8.270 nan 0.000 0.368 511 G N -0.721 108.011 108.800 -0.113 0.000 2.420 511 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.221 511 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.221 511 G C 0.330 175.030 174.900 -0.333 0.000 1.117 511 G CA 0.225 45.230 45.100 -0.159 0.000 0.657 511 G HN 0.385 nan 8.290 nan 0.000 0.512 512 K N 0.126 120.359 120.400 -0.277 0.000 2.344 512 K HA 0.396 4.715 4.320 -0.000 0.000 0.260 512 K C 0.893 177.241 176.600 -0.420 0.000 0.988 512 K CA 0.579 56.655 56.287 -0.351 0.000 0.909 512 K CB 0.120 32.552 32.500 -0.113 0.000 0.968 512 K HN 0.601 nan 8.250 nan 0.000 0.505 513 H N -1.430 117.652 119.070 0.020 0.000 2.740 513 H HA 0.109 4.665 4.556 -0.000 0.000 0.265 513 H C -0.246 175.124 175.328 0.071 0.000 0.978 513 H CA -0.083 55.979 56.048 0.023 0.000 1.198 513 H CB 0.674 30.414 29.762 -0.036 0.000 1.467 513 H HN 0.527 nan 8.280 nan 0.000 0.511 514 S N -0.900 114.901 115.700 0.167 0.000 2.588 514 S HA 0.457 4.926 4.470 -0.000 0.000 0.269 514 S C -0.722 173.958 174.600 0.133 0.000 1.157 514 S CA -1.054 57.244 58.200 0.164 0.000 0.824 514 S CB 2.198 65.462 63.200 0.106 0.000 1.126 514 S HN -0.024 nan 8.310 nan 0.000 0.464 515 T N 1.718 116.338 114.554 0.111 0.000 2.829 515 T HA 0.559 4.909 4.350 -0.000 0.000 0.282 515 T C -0.620 173.972 174.700 -0.181 0.000 0.990 515 T CA -0.601 61.477 62.100 -0.038 0.000 1.028 515 T CB 1.061 69.909 68.868 -0.034 0.000 0.951 515 T HN 0.665 nan 8.240 nan 0.000 0.460 516 K N 2.142 122.397 120.400 -0.242 0.000 2.339 516 K HA 0.535 4.855 4.320 -0.000 0.000 0.264 516 K C 0.248 176.571 176.600 -0.462 0.000 0.986 516 K CA -0.651 55.421 56.287 -0.359 0.000 0.866 516 K CB 0.753 33.100 32.500 -0.255 0.000 1.103 516 K HN 0.771 nan 8.250 nan 0.000 0.441 517 G N 5.103 113.550 108.800 -0.588 0.000 2.360 517 G HA2 0.251 4.211 3.960 -0.000 0.000 0.279 517 G HA3 0.251 4.211 3.960 -0.000 0.000 0.279 517 G C -0.233 174.585 174.900 -0.137 0.000 1.189 517 G CA -0.556 44.299 45.100 -0.408 0.000 0.941 517 G HN 0.566 nan 8.290 nan 0.000 0.445 518 L N 2.987 124.176 121.223 -0.056 0.000 2.313 518 L HA 0.447 4.786 4.340 -0.000 0.000 0.282 518 L C 1.164 178.053 176.870 0.031 0.000 1.092 518 L CA -0.481 54.346 54.840 -0.021 0.000 0.831 518 L CB 1.050 43.106 42.059 -0.005 0.000 1.159 518 L HN 0.554 nan 8.230 nan 0.000 0.442 519 G N 1.979 110.801 108.800 0.038 0.000 2.461 519 G HA2 0.323 4.283 3.960 -0.000 0.000 0.329 519 G HA3 0.323 4.283 3.960 -0.000 0.000 0.329 519 G C 0.404 175.310 174.900 0.011 0.000 1.170 519 G CA -0.560 44.559 45.100 0.030 0.000 0.935 519 G HN 0.670 nan 8.290 nan 0.000 0.492 520 K N -0.611 119.761 120.400 -0.047 0.000 2.155 520 K HA 0.074 4.394 4.320 -0.000 0.000 0.203 520 K C 0.474 177.070 176.600 -0.005 0.000 1.052 520 K CA 0.832 57.096 56.287 -0.038 0.000 0.948 520 K CB -0.046 32.405 32.500 -0.083 0.000 0.728 520 K HN 0.256 nan 8.250 nan 0.000 0.448 521 M N 0.237 119.836 119.600 -0.001 0.000 2.321 521 M HA 0.475 4.955 4.480 -0.000 0.000 0.315 521 M C -1.052 175.400 176.300 0.254 0.000 1.052 521 M CA -0.569 54.806 55.300 0.124 0.000 0.936 521 M CB 1.854 34.551 32.600 0.162 0.000 1.639 521 M HN -0.076 nan 8.290 nan 0.000 0.433 522 A N 4.237 127.199 122.820 0.237 0.000 2.604 522 A HA 0.917 5.237 4.320 -0.000 0.000 0.295 522 A C -2.943 174.807 177.584 0.275 0.000 1.067 522 A CA -1.309 50.895 52.037 0.277 0.000 0.683 522 A CB 1.493 20.646 19.000 0.255 0.000 1.281 522 A HN 0.483 nan 8.150 nan 0.000 0.407 523 P HA 0.243 nan 4.420 nan 0.000 0.268 523 P C -0.363 177.203 177.300 0.444 0.000 1.208 523 P CA 0.283 63.625 63.100 0.403 0.000 0.777 523 P CB 0.562 32.530 31.700 0.447 0.000 0.875 524 S N -0.141 115.776 115.700 0.361 0.000 2.501 524 S HA 0.244 4.714 4.470 -0.000 0.000 0.301 524 S C 1.220 175.470 174.600 -0.584 0.000 1.096 524 S CA -0.427 57.775 58.200 0.003 0.000 1.063 524 S CB 1.278 64.488 63.200 0.015 0.000 1.042 524 S HN 0.496 nan 8.310 nan 0.000 0.494 525 S N 2.161 117.260 115.700 -1.003 0.000 2.402 525 S HA -0.211 4.259 4.470 -0.000 0.000 0.233 525 S C 1.962 176.032 174.600 -0.883 0.000 1.030 525 S CA 0.928 58.179 58.200 -1.581 0.000 1.003 525 S CB -0.892 61.877 63.200 -0.720 0.000 0.813 525 S HN 0.930 nan 8.310 nan 0.000 0.477 526 A N 2.105 124.574 122.820 -0.584 0.000 1.917 526 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 526 A C 1.822 179.168 177.584 -0.396 0.000 1.182 526 A CA 1.847 53.592 52.037 -0.486 0.000 0.633 526 A CB -1.053 17.578 19.000 -0.615 0.000 0.819 526 A HN 0.823 nan 8.150 nan 0.000 0.448 527 H N -2.587 116.451 119.070 -0.052 0.000 2.526 527 H HA 0.280 4.836 4.556 -0.000 0.000 0.274 527 H C -0.421 175.064 175.328 0.261 0.000 0.999 527 H CA -0.612 55.498 56.048 0.103 0.000 1.157 527 H CB 0.117 29.961 29.762 0.136 0.000 1.407 527 H HN 0.354 nan 8.280 nan 0.000 0.568 528 F N 1.731 121.710 119.950 0.048 0.000 2.418 528 F HA 0.248 4.775 4.527 -0.000 0.000 0.341 528 F C 0.897 176.691 175.800 -0.010 0.000 1.120 528 F CA -1.611 56.389 58.000 -0.000 0.000 1.232 528 F CB 0.588 39.577 39.000 -0.019 0.000 1.175 528 F HN -0.122 nan 8.300 nan 0.000 0.569 529 V N -0.981 119.008 119.914 0.124 0.000 3.126 529 V HA 0.911 5.031 4.120 -0.000 0.000 0.314 529 V C -0.460 175.637 176.094 0.004 0.000 1.138 529 V CA -0.830 61.511 62.300 0.068 0.000 1.034 529 V CB 1.634 33.496 31.823 0.065 0.000 1.075 529 V HN 0.858 nan 8.190 nan 0.000 0.442 530 T N 0.601 115.168 114.554 0.022 0.000 2.885 530 T HA 0.776 5.126 4.350 -0.000 0.000 0.285 530 T C -1.110 173.602 174.700 0.020 0.000 1.019 530 T CA -0.565 61.533 62.100 -0.003 0.000 1.010 530 T CB 1.506 70.381 68.868 0.012 0.000 1.022 530 T HN 1.202 nan 8.240 nan 0.000 0.466 531 L N 3.122 124.344 121.223 -0.001 0.000 2.415 531 L HA 0.508 4.848 4.340 -0.000 0.000 0.268 531 L C -0.119 176.771 176.870 0.034 0.000 0.984 531 L CA 0.087 54.952 54.840 0.042 0.000 0.853 531 L CB 0.445 42.512 42.059 0.014 0.000 1.215 531 L HN 0.985 nan 8.230 nan 0.000 0.419 532 N N 4.079 122.805 118.700 0.045 0.000 2.716 532 N HA -0.194 4.545 4.740 -0.000 0.000 0.250 532 N C 0.911 176.423 175.510 0.002 0.000 1.033 532 N CA 0.943 54.007 53.050 0.023 0.000 0.727 532 N CB -0.958 37.543 38.487 0.024 0.000 0.950 532 N HN 1.222 nan 8.380 nan 0.000 0.541 533 G N -2.460 106.342 108.800 0.004 0.000 2.175 533 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.244 533 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.244 533 G C -0.043 174.853 174.900 -0.007 0.000 0.982 533 G CA 0.236 45.338 45.100 0.004 0.000 0.641 533 G HN 0.488 nan 8.290 nan 0.000 0.527 534 S N 0.440 116.121 115.700 -0.031 0.000 2.482 534 S HA 0.677 5.147 4.470 -0.000 0.000 0.303 534 S C 0.186 174.729 174.600 -0.096 0.000 1.091 534 S CA -0.216 57.945 58.200 -0.065 0.000 1.057 534 S CB 1.880 65.022 63.200 -0.098 0.000 1.031 534 S HN 0.386 nan 8.310 nan 0.000 0.485 535 T N 2.515 116.997 114.554 -0.120 0.000 2.870 535 T HA 0.297 4.647 4.350 -0.000 0.000 0.300 535 T C -0.166 174.330 174.700 -0.341 0.000 0.989 535 T CA -0.252 61.744 62.100 -0.173 0.000 1.139 535 T CB 0.327 69.119 68.868 -0.127 0.000 0.920 535 T HN 0.347 nan 8.240 nan 0.000 0.537 536 V N 7.090 126.753 119.914 -0.418 0.000 2.328 536 V HA 0.309 4.429 4.120 -0.000 0.000 0.278 536 V C -1.940 173.647 176.094 -0.846 0.000 1.021 536 V CA -1.989 59.896 62.300 -0.692 0.000 0.838 536 V CB 1.232 32.691 31.823 -0.608 0.000 0.999 536 V HN 0.709 nan 8.190 nan 0.000 0.447 537 P HA 0.257 nan 4.420 nan 0.000 0.225 537 P C -0.036 177.035 177.300 -0.382 0.000 1.830 537 P CA -0.245 62.142 63.100 -1.189 0.000 1.051 537 P CB 0.220 31.418 31.700 -0.836 0.000 1.929 538 L N 0.874 121.970 121.223 -0.212 0.000 2.506 538 L HA 0.165 4.505 4.340 -0.000 0.000 0.281 538 L C 1.704 178.704 176.870 0.218 0.000 1.228 538 L CA 0.141 55.014 54.840 0.055 0.000 0.850 538 L CB -0.094 42.005 42.059 0.066 0.000 1.110 538 L HN 0.243 nan 8.230 nan 0.000 0.496 539 G N 2.065 110.973 108.800 0.180 0.000 2.535 539 G HA2 0.475 4.435 3.960 -0.000 0.000 0.282 539 G HA3 0.475 4.435 3.960 -0.000 0.000 0.282 539 G C -2.450 172.425 174.900 -0.041 0.000 1.350 539 G CA -0.777 44.403 45.100 0.133 0.000 1.039 539 G HN 0.468 nan 8.290 nan 0.000 0.509 540 P HA 0.403 nan 4.420 nan 0.000 0.276 540 P C -0.302 177.059 177.300 0.101 0.000 1.252 540 P CA -0.210 62.900 63.100 0.016 0.000 0.802 540 P CB 0.998 32.687 31.700 -0.018 0.000 1.035 541 A N 1.520 124.415 122.820 0.124 0.000 2.445 541 A HA 0.508 4.828 4.320 -0.000 0.000 0.242 541 A C 0.493 178.163 177.584 0.144 0.000 1.075 541 A CA 0.272 52.412 52.037 0.172 0.000 0.777 541 A CB -0.577 18.542 19.000 0.198 0.000 1.013 541 A HN 0.677 nan 8.150 nan 0.000 0.493 542 S N 0.592 116.383 115.700 0.151 0.000 2.638 542 S HA 0.465 4.935 4.470 -0.000 0.000 0.274 542 S C -0.887 173.774 174.600 0.102 0.000 1.157 542 S CA -0.840 57.428 58.200 0.113 0.000 0.826 542 S CB 1.148 64.411 63.200 0.105 0.000 1.139 542 S HN 0.782 nan 8.310 nan 0.000 0.474 543 D N 0.746 121.189 120.400 0.072 0.000 2.488 543 D HA 0.066 4.706 4.640 -0.000 0.000 0.238 543 D C 1.196 177.530 176.300 0.056 0.000 1.138 543 D CA 0.818 54.850 54.000 0.054 0.000 0.873 543 D CB 1.202 42.023 40.800 0.036 0.000 1.183 543 D HN 0.752 nan 8.370 nan 0.000 0.458 544 T N 0.342 114.928 114.554 0.052 0.000 3.044 544 T HA 0.283 4.632 4.350 -0.000 0.000 0.250 544 T C 1.455 176.178 174.700 0.037 0.000 1.081 544 T CA 0.474 62.606 62.100 0.054 0.000 1.040 544 T CB 0.354 69.259 68.868 0.061 0.000 0.962 544 T HN 0.644 nan 8.240 nan 0.000 0.506 545 G N 1.323 110.140 108.800 0.029 0.000 2.176 545 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.253 545 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.253 545 G C 0.075 174.987 174.900 0.020 0.000 0.979 545 G CA 0.154 45.267 45.100 0.022 0.000 0.641 545 G HN 0.527 nan 8.290 nan 0.000 0.530 553 T N 4.650 119.218 114.554 0.022 0.000 2.823 553 T HA 0.677 5.027 4.350 -0.000 0.000 0.279 553 T C 0.207 174.919 174.700 0.020 0.000 0.998 553 T CA -0.635 61.482 62.100 0.028 0.000 0.994 553 T CB 1.754 70.629 68.868 0.013 0.000 0.960 553 T HN 0.760 nan 8.240 nan 0.000 0.448 554 L N 3.061 124.314 121.223 0.050 0.000 2.506 554 L HA 0.051 4.391 4.340 -0.000 0.000 0.281 554 L C 1.672 178.503 176.870 -0.064 0.000 1.228 554 L CA -0.349 54.519 54.840 0.046 0.000 0.850 554 L CB 0.306 42.439 42.059 0.124 0.000 1.110 554 L HN 0.658 nan 8.230 nan 0.000 0.496 555 N N 1.009 119.610 118.700 -0.164 0.000 2.216 555 N HA -0.063 4.677 4.740 -0.000 0.000 0.183 555 N C -0.574 174.428 175.510 -0.847 0.000 1.017 555 N CA 1.214 53.935 53.050 -0.549 0.000 0.861 555 N CB 0.115 38.200 38.487 -0.671 0.000 0.986 555 N HN 0.382 nan 8.380 nan 0.000 0.428 556 Y N 0.078 120.445 120.300 0.113 0.000 2.553 556 Y HA 0.333 4.883 4.550 -0.000 0.000 0.347 556 Y C 0.152 176.135 175.900 0.139 0.000 1.019 556 Y CA -1.366 56.813 58.100 0.130 0.000 1.032 556 Y CB 0.611 39.166 38.460 0.159 0.000 1.284 556 Y HN -0.218 nan 8.280 nan 0.000 0.466 557 N N 2.489 121.350 118.700 0.269 0.000 2.305 557 N HA 0.034 4.774 4.740 -0.000 0.000 0.232 557 N C -0.437 175.162 175.510 0.148 0.000 1.274 557 N CA 0.332 53.443 53.050 0.101 0.000 0.870 557 N CB 0.258 38.756 38.487 0.018 0.000 1.105 557 N HN 0.785 nan 8.380 nan 0.000 0.436 558 E N -0.122 120.068 120.200 -0.017 0.000 2.390 558 E HA 0.402 4.752 4.350 -0.000 0.000 0.277 558 E C -1.555 174.955 176.600 -0.150 0.000 0.939 558 E CA -0.786 55.686 56.400 0.121 0.000 0.769 558 E CB 1.094 30.995 29.700 0.334 0.000 1.251 558 E HN 0.419 nan 8.360 nan 0.000 0.450 559 Y N 0.943 121.324 120.300 0.136 0.000 2.409 559 Y HA 0.552 5.102 4.550 -0.000 0.000 0.343 559 Y C -0.585 175.298 175.900 -0.029 0.000 0.973 559 Y CA -1.041 57.088 58.100 0.049 0.000 1.064 559 Y CB 1.863 40.397 38.460 0.124 0.000 1.207 559 Y HN 0.410 nan 8.280 nan 0.000 0.452 560 I N 3.821 124.346 120.570 -0.076 0.000 2.499 560 I HA 0.512 4.682 4.170 -0.000 0.000 0.288 560 I C -0.756 175.131 176.117 -0.383 0.000 1.048 560 I CA -0.834 60.223 61.300 -0.404 0.000 1.062 560 I CB 1.921 39.453 38.000 -0.780 0.000 1.238 560 I HN 0.372 nan 8.210 nan 0.000 0.426 561 V N 2.599 122.327 119.914 -0.309 0.000 2.815 561 V HA 0.526 4.646 4.120 -0.000 0.000 0.314 561 V C -0.624 175.247 176.094 -0.372 0.000 1.064 561 V CA -0.348 61.821 62.300 -0.218 0.000 0.952 561 V CB 1.611 33.447 31.823 0.022 0.000 1.020 561 V HN 0.679 nan 8.190 nan 0.000 0.439 562 Y N 1.392 121.714 120.300 0.037 0.000 2.531 562 Y HA 0.482 5.032 4.550 -0.000 0.000 0.249 562 Y C 0.826 176.737 175.900 0.019 0.000 1.168 562 Y CA -0.339 57.772 58.100 0.018 0.000 1.226 562 Y CB 0.505 38.968 38.460 0.004 0.000 1.177 562 Y HN 0.741 nan 8.280 nan 0.000 0.527 563 N N 0.823 119.596 118.700 0.120 0.000 2.310 563 N HA 0.216 4.956 4.740 -0.000 0.000 0.292 563 N C -2.449 173.103 175.510 0.069 0.000 1.049 563 N CA -2.289 50.810 53.050 0.082 0.000 0.849 563 N CB 2.488 41.016 38.487 0.068 0.000 1.532 563 N HN -0.223 nan 8.380 nan 0.000 0.479 564 P HA -0.065 nan 4.420 nan 0.000 0.225 564 P C 0.585 177.942 177.300 0.095 0.000 1.148 564 P CA 0.845 63.993 63.100 0.079 0.000 0.779 564 P CB 0.121 31.857 31.700 0.061 0.000 0.780 565 N N 0.030 118.771 118.700 0.068 0.000 2.571 565 N HA -0.134 4.606 4.740 -0.000 0.000 0.189 565 N C 1.233 176.760 175.510 0.028 0.000 1.154 565 N CA 0.695 53.785 53.050 0.067 0.000 0.907 565 N CB -1.064 37.435 38.487 0.021 0.000 0.977 565 N HN 0.227 nan 8.380 nan 0.000 0.449 566 Q N -0.223 119.597 119.800 0.033 0.000 2.280 566 Q HA 0.252 4.592 4.340 -0.000 0.000 0.202 566 Q C -0.723 175.402 176.000 0.208 0.000 0.903 566 Q CA -0.031 55.758 55.803 -0.022 0.000 0.948 566 Q CB 0.781 29.501 28.738 -0.030 0.000 1.058 566 Q HN 0.160 nan 8.270 nan 0.000 0.493 567 V N 0.810 120.914 119.914 0.315 0.000 2.588 567 V HA 0.433 4.553 4.120 -0.000 0.000 0.304 567 V C -0.610 175.580 176.094 0.159 0.000 1.042 567 V CA -0.884 61.562 62.300 0.242 0.000 0.877 567 V CB 2.097 34.055 31.823 0.225 0.000 0.996 567 V HN 0.074 nan 8.190 nan 0.000 0.425 568 R N 4.908 125.321 120.500 -0.146 0.000 2.468 568 R HA 0.579 4.918 4.340 -0.000 0.000 0.302 568 R C -0.715 175.449 176.300 -0.227 0.000 1.041 568 R CA -0.627 55.291 56.100 -0.303 0.000 0.899 568 R CB 1.196 31.026 30.300 -0.783 0.000 1.167 568 R HN 0.769 nan 8.270 nan 0.000 0.483 569 M N 3.868 123.405 119.600 -0.104 0.000 2.248 569 M HA 0.095 4.574 4.480 -0.000 0.000 0.345 569 M C 0.898 177.102 176.300 -0.160 0.000 1.243 569 M CA 0.450 55.712 55.300 -0.063 0.000 1.090 569 M CB 0.765 33.375 32.600 0.017 0.000 1.683 569 M HN 0.514 nan 8.290 nan 0.000 0.450 570 R N 1.838 122.216 120.500 -0.204 0.000 2.428 570 R HA 0.245 4.585 4.340 -0.000 0.000 0.193 570 R C -0.688 175.205 176.300 -0.677 0.000 0.852 570 R CA 0.725 56.544 56.100 -0.468 0.000 1.055 570 R CB 0.606 30.565 30.300 -0.568 0.000 1.343 570 R HN 0.592 nan 8.270 nan 0.000 0.655 571 Y N -0.129 120.167 120.300 -0.006 0.000 2.492 571 Y HA 0.536 5.086 4.550 -0.000 0.000 0.346 571 Y C -0.739 175.191 175.900 0.049 0.000 0.997 571 Y CA -1.156 56.958 58.100 0.023 0.000 1.025 571 Y CB 1.951 40.400 38.460 -0.020 0.000 1.263 571 Y HN -0.211 nan 8.280 nan 0.000 0.454 572 L N 3.854 125.224 121.223 0.246 0.000 2.319 572 L HA 0.622 4.961 4.340 -0.000 0.000 0.281 572 L C -1.690 175.307 176.870 0.212 0.000 1.005 572 L CA -0.671 54.256 54.840 0.146 0.000 0.828 572 L CB 0.903 42.989 42.059 0.046 0.000 1.227 572 L HN 0.502 nan 8.230 nan 0.000 0.415 573 L N 4.878 126.169 121.223 0.114 0.000 2.289 573 L HA 0.476 4.816 4.340 -0.000 0.000 0.285 573 L C 0.083 176.985 176.870 0.054 0.000 1.049 573 L CA -0.075 54.815 54.840 0.083 0.000 0.804 573 L CB 1.161 43.248 42.059 0.047 0.000 1.195 573 L HN 0.498 nan 8.230 nan 0.000 0.428 574 K N 2.760 123.226 120.400 0.111 0.000 2.253 574 K HA 0.619 4.939 4.320 -0.000 0.000 0.277 574 K C -1.379 175.245 176.600 0.041 0.000 1.053 574 K CA -0.419 55.927 56.287 0.098 0.000 0.892 574 K CB 0.902 33.522 32.500 0.199 0.000 1.102 574 K HN 0.420 nan 8.250 nan 0.000 0.469 575 V N 4.597 124.521 119.914 0.016 0.000 2.495 575 V HA 0.225 4.345 4.120 -0.000 0.000 0.298 575 V C -0.456 175.626 176.094 -0.020 0.000 1.031 575 V CA -0.862 61.383 62.300 -0.093 0.000 0.871 575 V CB 1.551 33.200 31.823 -0.290 0.000 0.988 575 V HN 0.785 nan 8.190 nan 0.000 0.432 576 Q N 3.466 123.229 119.800 -0.062 0.000 2.278 576 Q HA 0.500 4.839 4.340 -0.000 0.000 0.257 576 Q C -1.640 174.307 176.000 -0.087 0.000 0.928 576 Q CA -0.439 55.382 55.803 0.030 0.000 0.932 576 Q CB 0.982 29.746 28.738 0.043 0.000 1.221 576 Q HN 0.640 nan 8.270 nan 0.000 0.434 577 F N 3.154 123.060 119.950 -0.073 0.000 2.410 577 F HA 0.336 4.863 4.527 -0.000 0.000 0.349 577 F C 0.277 175.943 175.800 -0.224 0.000 1.117 577 F CA -0.677 57.178 58.000 -0.240 0.000 1.104 577 F CB 1.107 39.886 39.000 -0.369 0.000 1.122 577 F HN 0.462 nan 8.300 nan 0.000 0.483 578 N N 5.190 123.811 118.700 -0.131 0.000 2.558 578 N HA 0.264 5.004 4.740 -0.000 0.000 0.242 578 N C -0.883 174.564 175.510 -0.104 0.000 0.979 578 N CA -0.234 52.791 53.050 -0.042 0.000 0.931 578 N CB 0.970 39.450 38.487 -0.013 0.000 1.122 578 N HN 0.314 nan 8.380 nan 0.000 0.508 579 F N 0.000 120.046 119.950 0.160 0.000 2.286 579 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 579 F CA 0.000 58.089 58.000 0.148 0.000 1.383 579 F CB 0.000 39.067 39.000 0.112 0.000 1.145 579 F HN 0.000 nan 8.300 nan 0.000 0.574